# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T12:43:14+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n n 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000334","5.0743","0.0002","4.9067","0.0002","8.4083","0.0004","90","","90","","90","","209.4","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Dilithium titanium tellurium oxide","","- Li2 O6 Te Ti -","- Li2 O6 Te Ti -","- Li4 O12 Te2 Ti2 -","2","0.5","","Crosnier, M P; Delarue, E; Choisnet, J; Fourquet, J L","Li^+^-H^+^ exchange on Li~2~TiTeO~6~","European Journal of Solid State Inorganic Chemistry","1992","39","","321","332","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001856","5.072","0.001","4.903","0.001","8.402","0.002","90","","90","","90","","208.9","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Dilithium titanium hexaoxotellurate","","- Li2 O6 Te Ti -","- Li2 O6 Te Ti -","- Li4 O12 Te2 Ti2 -","2","0.5","","Choisnet, J; Rulmont, A; Tarte, P","Ordering phenomena in the Li Sb O3 type structure: The new mixed tellurates Li2 Ti Te O6 and Li2 Sn Te O6","Journal of Solid State Chemistry","1989","82","","272","278","10.1016/0022-4596(89)90292-2","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010670","8","","10.58","","6.29","","90","","90","","90","","532.4","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Diamminesilver nitrate","","- Ag H6 N3 O3 -","","","4","1","","Corey, R B; Pestrecov, K","The space group of silver nitrate diammoniate Ag N O~3~ (N H~3~)~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","89","","528","528","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1100140","17.076","0.003","19.341","0.003","13.481","0.002","90","","90","","90","","4452.3","1.2","100","2","100","2","","","","","","","","6","P n n 2","P 2 -2n","34","(Cu3Cl2(OH)3(2-pymo)(4,4'-bpy)1.5)n(NO3)n.6.25nH2O","","","- C34 H41.5 Cl2 Cu3 N9 O12.25 -","- C34 H27 Cl2 Cu3 N9 O12.25 -","- C136 H108 Cl8 Cu12 N36 O49 -","4","1","","Barea, Elisa; Quiros, Miguel; Navarro, Jorge A. R.; Salas, Juan M.","Heteroleptic pyrimidine-2-olate and 4,4[prime or minute]-bipyridine copper(II) layered metal-organic frameworks with swelling properties.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1743","1746","10.1039/b500942a","","","0.71073","MoKα","","0.1154","0.0841","","","0.201","0.2176","","","","","","1.099","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509425","10.348","","10.522","","7.946","","90","","90","","90","","865.174","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","K2 (Ag Sb S4)","","- Ag K2 S4 Sb -","- Ag K2 S4 Sb -","- Ag4 K8 S16 Sb4 -","4","1","","Schimek, G.L.; Wood, P.T.; Pennington, W.T.; Kolis, J.W.","Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M=K, Rb)","Journal of Solid State Chemistry","1996","123","","277","284","10.1006/jssc.1996.0179","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509761","5.983","","6.3239","","9.5762","","90","","90","","90","","362.324","","","","","","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- Ag2 Bi O3 -","- Ag2 Bi O3 -","- Ag8 Bi4 O12 -","4","1","","Oberndorfer, C.P.M.; Dinnebier, R.E.; Ibberson, R.M.; Jansen, M.","Charge ordering in Ag2 Bi O3","Solid State Sciences","2006","8","","267","276","10.1016/j.solidstatesciences.2006.02.002","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511529","11.397","","11.255","","6.293","","90","","90","","90","","807.223","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Ca2 (B5 O9 Br)","","- B5 Br Ca2 O9 -","- B5 Br Ca2 O9 -","- B20 Br4 Ca8 O36 -","4","1","","Fouassier, C.; Lloyd, D.J.; Levasseur, A.","Structure cristalline du bromoborate Ca2 B5 O9 Br","Journal of Solid State Chemistry","1973","6","","179","186","10.1016/0022-4596(73)90179-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511531","11.364","","11.301","","6.504","","90","","90","","90","","835.273","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Eu2 (B5 O9) Cl","","- B5 Cl Eu2 O9 -","- B5 Cl Eu2 O9 -","- B20 Cl4 Eu8 O36 -","4","1","","Shiokawa, J.; Moriwaki, Y.; Adachi, G.Y.; Machida, K.I.","The crystal structure and luminescence properties of europium(II) haloborates","Bulletin of the Chemical Society of Japan","1981","54","","1048","1051","10.1246/bcsj.54.1048","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519874","12.7013","0.0004","16.5159","0.0006","4.3164","0.0001","90","","90","","90","","905.47","0.05","120","2","120","2","","","","","","","","4","P n n 2","P 2 -2n","34","","[2-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]methanol","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C40 H44 N12 O4 -","4","1","","Hursthouse, Michael B.; Huth, Susanne. L.; Withnell, J.","[2-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]methanol","Crystal Structure Report Archive","2007","","","282","","","","","0.71073","MoKα","","0.0424","0.0329","","","0.0785","0.0829","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520994","11.716","","11.574","","6.7","","90","","90","","90","","908.527","","","","","","","","","","","","","5","P n n 2","P 2 -2n","34","","Ba2 (B5 O9) Cl (H2 O)0.5","","- B5 Ba2 Cl H O9.5 -","- B5 Ba2 Cl O9.5 -","- B20 Ba8 Cl4 O38 -","4","1","","Ferro, O.; Pushcharovskii, D.Yu.; Merlino, S.; Vinogradova, S.A.; Dimitrova, O.V.","Crystal structures of two new Ba borates pentaborate, Ba2 (B5 O9) Cl . 0.5(H2 O) and Ba2 (B5 O8 (O H)2) (O H)","Journal of Alloys Compd.","2000","305","","63","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521207","13.7711","","23.846","","8.3769","","90","","90","","90","","2750.85","","","","","","","","","","","","","3","P n n 2","P 2 -2n","34","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al24 O96 P24 -","24","6","","Ikeda, T.; Izumi, F.; Miyazawa, K.; Santoro, A.; Huang, Q.","Structural study of the aluminophosphate (Al P O4)-5 by neutron powder diffraction","Journal of Physics and Chemistry of Solids","1999","60","","1531","1535","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525664","11.51","","11.45","","6.563","","90","","90","","90","","864.934","","","","","","","","","","","","","6","P n n 2","P 2 -2n","34","","Na0.5 Pb2 (B5 O9) Cl (O H)0.5","","- B5 Cl H0.5 Na0.5 O9.5 Pb2 -","- B5 Cl Na0.5 O9.5 Pb2 -","- B20 Cl4 Na2 O38 Pb8 -","4","1","","Belokoneva, E.L.; Stefanovich, S.Yu.; Dimitrova, O.V.; Korchemkina, T.A.","Na0.5 Pb2 (B5 O9) Cl (O H)0.5, a new polar modification of hilgardite containing Na cations in the cavities of the framework. The OD-family of the 5:(2Delta+3*(box)) pentaborates:hilgardites, heidornite, probertite and ulexite","Kristallografiya","2000","45","","814","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528298","11.426","","11.328","","6.5735","","90","","90","","90","","850.833","","","","","","","","","","","","","5","P n n 2","P 2 -2n","34","","Na0.5 Pb2 (B5 O9) (O H)1.5 (H2 O)0.5","","- B5 H2.5 Na0.5 O11 Pb2 -","- B5 H Na0.5 O11 Pb2 -","- B20 H4 Na2 O44 Pb8 -","4","1","","Al'-Ama, A.G.; Dimitrova, O.V.; Belokoneva, E.L.; Stefanovich, S.Yu.; Mochenova, N.N.","A new nonlinear optical borate, Na0.5 Pb2 [B5 O9] (O H)1.5 . 0.5H2 O, from the orthorhombic hilgardite family","Kristallografiya","2006","51","","429","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530779","7.632","","7.632","","5.566","","90","","90","","90","","324.205","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Li Eu (S O4)2","","- Eu Li O8 S2 -","- Eu Li O8 S2 -","- Eu2 Li2 O16 S4 -","2","0.5","","Sirotinkin, S.P.; Efremov, V.A.; Kovba, L.M.; Pokrovskii, A.N.","Crystal structure of lithium-europium double sulfate","Kristallografiya","1977","22","","966","970","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534247","11.524","","11.431","","6.5399","","90","","90","","90","","861.507","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Pb2 (B5 O9) Br","","- B5 Br O9 Pb2 -","- B5 Br O9 Pb2 -","- B20 Br4 O36 Pb8 -","4","1","","Belokoneva, E.L.; Dimitrova, O.V.; Kabalov, Yu.K.; Stefanovich, S.Yu.","New hilgardite-group polyborate Pb2 [B5 O9] Br with a high optical nonlinearity","Kristallografiya","2003","48","","49","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535640","6.274","","12.801","","8.676","","90","","90","","90","","696.8","","","","","","","","","","","","","3","P n n 2","P 2 -2n","34","","Ti (Al Br4)2","","- Al2 Br8 Ti -","- Al2 Br8 Ti -","- Al4 Br16 Ti2 -","2","0.5","","Troyanov, S.I.; Rybakov, V.B.; Ionov, V.M.","Synthesis and crystal structures of TiBr4,TiBr3 and Ti(AlBr4)2","Zhurnal Neorganicheskoi Khimii","1990","35","","882","887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536039","5.192","","4.927","","8.513","","90","","90","","90","","217.771","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Li2 Sn (Te O6)","","- Li2 O6 Sn Te -","- Li2 O6 Sn Te -","- Li4 O12 Sn2 Te2 -","2","0.5","","Choisnet, J.; Rulmont, A.; Tarte, P.","Ordering phenomena in the Li Sb O3 type structure: The new mixed tellurates Li2 Ti Te O6 and Li2 Sn Te O6","Journal of Solid State Chemistry","1989","82","","272","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536678","7.74","","16.292","","4.366","","90","","90","","90","","550.553","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","(N2 H6) (As F4) F","","- As F5 H6 N2 -","- As F5 H6 N2 -","- As4 F20 H24 N8 -","4","1","","Klampfer, P.; Ponikvar, M.; Benkic, P.; Rahten, A.; Lesar, A.; Jesih, A.","Synthesis, crystal structure and Raman spectrum of hydrazinium(+2) fluoroarsenate(III) fluoride, N2 H6 As F4 F","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2003","134","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1549519","8.1407","0.0006","10.6127","0.0009","5.04567","0.00015","90","","90","","90","","435.92","0.05","","","","","","","3170000","","","","","4","P n n 2","P 2 -2n","34","Zn4Si2O7(OH)2H2O at 3.17 GPa","","hemimorphite II at 3.17 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.5","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.17 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208143","2020-10-21","18:00:00",""
"1549522","8.0863","0.0008","10.5218","0.0012","5.02927","0.00019","90","","90","","90","","427.9","0.07","","","","","","","4200000","","","","","4","P n n 2","P 2 -2n","34","Zn4Si2O7(OH)2H2O at 4.20 GPa","","hemimorphite II at 4.20 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.5","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 4.2 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208146","2020-10-21","18:00:00",""
"1549523","8.1034","0.0006","10.5561","0.001","5.0324","0.0002","90","","90","","90","","430.47","0.05","","","","","","","3740000","","","","","4","P n n 2","P 2 -2n","34","Zn4Si2O7(OH)2H2O at 3.74 GPa","","hemimorphite II at 3.74 GPa","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.5","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.74 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208147","2020-10-21","18:00:00",""
"1550267","17.5605","0.0014","9.4899","0.0007","9.611","0.0006","90","","90","","90","","1601.6","0.2","173","2","173","","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Br2 Cu2 N4 -","- C11 H16 Br2 Cu2 N4 -","- C44 H64 Br8 Cu8 N16 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","Copper(i)-polymers and their photoluminescence thermochromism properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","2","477","486","10.1039/c8pp00474a","","","0.71073","MoKα","","0.0467","0.0385","","","0.0936","0.0979","","","","","","1.089","","","","has coordinates","225320","2020-10-21","18:00:00",""
"1550270","17.6696","0.0005","9.5533","0.0003","9.5747","0.0002","90","","90","","90","","1616.24","0.08","299","2","299.19","","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Br2 Cu2 N4 -","- C11 H16 Br2 Cu2 N4 -","- C44 H64 Br8 Cu8 N16 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","Copper(i)-polymers and their photoluminescence thermochromism properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","2","477","486","10.1039/c8pp00474a","","","0.71073","MoKα","","0.0384","0.0294","","","0.0575","0.0607","","","","","","1.024","","","","has coordinates","225320","2020-10-21","18:00:00",""
"1553042","15.865","0.004","16.43","0.004","14.961","0.004","90","","90","","90","","3899.8","1.7","173","2","173","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- C92 H98 N8 -","- C92 H98 N8 -","- C184 H196 N16 -","2","0.5","","Ie, Machiko; Setsune, Jun-ichiro; Eda, Kazuo; Tsuda, Akihiko","Chiroptical sensing of oligonucleotides with a cyclic octapyrrole","Organic Chemistry Frontiers","2015","2","1","29","","10.1039/C4QO00268G","","","0.71073","MoKα","","0.0511","0.0433","","","0.1077","0.1132","","","","","","1.034","","","","has coordinates,has disorder","232994","2020-10-21","18:00:00",""
"1557148","13.678","0.004","13.359","0.004","9.219","0.003","90","","90","","90","","1684.5","0.9","","","120","","","","","","","","","5","P n n 2","P 2 -2n","34","Copper(II) Adamanzane Complex","","","- C11 H24 Cu I2 N4 -","- C11 Cu I2 N4 -","- C44 Cu4 I8 N16 -","4","1","","Springborg, Johan; Sotofte, Inger","Synthetic, Thermodynamic and Crystallographic Studies of Pentacoordinated Copper(II) Complexes with [24.31]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane, and Bromide, Iodide, Hydroxide, Water or Ammonia","Acta Chemica Scandinavica","1997","51","","357","366","10.3891/acta.chem.scand.51-0357","","x-ray","1.5418","CuKα","","","0.1296","","","","0.3261","","","","","","2.2","","","","has coordinates","247188","2020-10-21","18:00:00",""
"1557978","13.9696","0.0003","5.09285","0.00007","8.70686","0.00014","90","","90","","90","","619.45","0.019","","","10","","","","100","","","","","4","P n n 2","P 2 -2n","34","Mg10Si3O18D4","","superhydrous phase B at 10 K","- D4 Mg10 O18 Si3 -","- D2.78 Mg10 O18 Si3 -","- D5.56 Mg20 O36 Si6 -","2","0.5","","Trots, D.M.; Kurnosov, A.; Manthilake, M.A.G.M.; Ovsyannikov, S.V.; Akselrun, L.G.; Hansen, T.; Smyth, J.R.; Frost, D.J.","The determination of hydrogen positions in superhydrous phase B","American Mineralogist","2013","98","","1688","1692","10.2138/am.2013.4475","","","","","","","","","","","","","","","","","","","","","has coordinates","251354","2020-10-21","18:00:00",""
"1557979","13.9882","0.0003","5.10006","0.00007","8.71628","0.00013","90","","90","","90","","621.825","0.018","","","300","","","","100","","","","","4","P n n 2","P 2 -2n","34","Mg10Si3O18D4","","superhydrous phase B at 300 K","- D4 Mg10 O18 Si3 -","- D2.8 Mg10 O18 Si3 -","- D5.6 Mg20 O36 Si6 -","2","0.5","","Trots, D.M.; Kurnosov, A.; Manthilake, M.A.G.M.; Ovsyannikov, S.V.; Akselrun, L.G.; Hansen, T.; Smyth, J.R.; Frost, D.J.","The determination of hydrogen positions in superhydrous phase B","American Mineralogist","2013","98","","1688","1692","10.2138/am.2013.4475","","","","","","","","","","","","","","","","","","","","","has coordinates","251355","2020-10-21","18:00:00",""
"1566344","8.1577","0.0019","10.642","0.006","5.0473","0.001","90","","90","","90","","438.2","0.3","","","298","","","","3010000","","","","","4","P n n 2","P 2 -2n","34","Zn4[Si2O7](OH)2H2O","","hemimorphite at 3.01 GPa","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Okamoto, K.; Kuribayashi, T.; Nagase, T.","Modulated structure of hemimorphite associated with pressure-induced phase transition : at 3.01 GPa","Journal of Mineralogical and Petrological Sciences","2021","116","","251","262","10.2465/jmps.210731","","","","","","","","","","","","","","","","","","","","","has coordinates","272929","2022-02-11","11:18:45",""
"1566345","8.0987","0.0011","10.549","0.004","5.0288","0.0005","90","","90","","90","","429.63","0.18","","","298","","","","3720000","","","","","4","P n n 2","P 2 -2n","34","Zn4[Si2O7](OH)2H2O","","hemimorphite at 3.72 GPa","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Okamoto, K.; Kuribayashi, T.; Nagase, T.","Modulated structure of hemimorphite associated with pressure-induced phase transition : at 3.72 GPa","Journal of Mineralogical and Petrological Sciences","2021","116","","251","262","10.2465/jmps.210731","","","","","","","","","","","","","","","","","","","","","has coordinates","272930","2022-02-11","11:19:43",""
"2000800","8.86","0.008","11.007","0.002","16.316","0.004","90","","90","","90","","1591.2","1.5","293","","","","","","","","","","","5","P n n 2","P 2 -2n","","","","","- C14 H11 Fe N2 O10 -","- C14 H11 Fe N2 O10 -","- C56 H44 Fe4 N8 O40 -","4","1","DU1001","Cousson, A.; Nectoux, F.; Rizkalla, E. N.","Structure of bis(dipicolinato)ferrate(III) dihydrate","Acta Crystallographica Section C","1992","48","7","1354","1357","10.1107/S0108270192002877","","","0.71069","MoKα","","","0.041","","","0.04","","","","","2.15","2.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003642","32.456","0.005","5.674","0.002","3.995","0.002","90","","90","","90","","735.7","0.5","296","","","","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- Nb5 O17 Sr5 -","- Nb5 O17 Sr5 -","- Nb10 O34 Sr10 -","2","0.5","BR1096","Schmalle, H. W.; Williams, T.; Reller, A.; Lichtenberg, F.; Widmer, D.; Bednorz, J. G.","A Novel Semiconducting Perovskite-Related Phase: Sr~5~Nb~5~O~17~","Acta Crystallographica Section C","1995","51","7","1243","1246","10.1107/S0108270195000977","","","0.71073","MoKα","","","0.0387","","","0.0449","","","","","3.396","3.396","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013836","17.219","0.002","18.875","0.002","5.268","0.002","90","","90","","90","","1712.1","0.7","296.2","","","","","","","","","","","5","P n n 2","P 2 -2n","34","","(1,1-cyclobutanedicarboxylato-κ^2^O,O') (1,10-phenanthroline-κ^2^N,N')palladium(II) monohydrate","","- C18 H16 N2 O5 Pd -","- C18 H16 N2 O5 Pd -","- C72 H64 N8 O20 Pd4 -","4","1","OB1156","Muranishi, Yasunori; Okabe, Nobuo","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II), (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate and (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate","Acta Crystallographica Section C","2004","60","2","m47","m50","10.1107/S0108270103028130","","","0.7107","MoKα","","","0.028","","","","0.079","","","","","","1.204","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2108424","11.355","0.0012","12.68","0.003","13.4516","0.0014","90","","90","","90","","1936.8","0.5","100","2","100","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C38 H37 Co I2 N9 O -","- C38 H37 Co I2 N9 O -","- C76 H74 Co2 I4 N18 O2 -","2","0.5","","Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes","Acta Crystallographica Section B","2019","75","4","","","10.1107/S205252061900636X","","","0.71073","MoKα","","0.0278","0.0267","","","0.0643","0.0654","","","","","","1.041","","","","has coordinates,has Fobs","215998","2020-10-21","18:00:00",""
"2108425","11.3655","0.0006","12.5153","0.0007","13.6247","0.0006","90","","90","","90","","1938.01","0.17","100","2","100","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C38 H37 Co N11 O7 -","- C38 H37 Co N11 O7 -","- C76 H74 Co2 N22 O14 -","2","0.5","","Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes","Acta Crystallographica Section B","2019","75","4","","","10.1107/S205252061900636X","","","0.71073","MoKα","","0.0289","0.0272","","","0.0706","0.072","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","215998","2020-10-21","18:00:00",""
"2200460","21.698","0.004","7.339","0.0015","8.638","0.0017","90","","90","","90","","1375.5","0.5","123","2","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","2-trans-cinnamonyl-acetoacetic acid","2-acetyl-3-oxo-5-pentyl-pent-4-enoic acid ethyl ester","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","CV6028","Arrieta, Antonio F.; Arvid Mostad","Ethyl 2-<i>trans</i>-cinnamoylacetoacetate","Acta Crystallographica Section E","2001","57","8","o669","o671","10.1107/S1600536801010583","","","0.71073","MoKα","","0.0331","0.0313","","","","0.0789","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204579","11.4935","0.0019","11.4717","0.0019","6.5297","0.0011","90","","90","","90","","860.9","0.2","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","Dilead pentaborate bromide","","- B5 Br O9 Pb2 -","- B5 Br O9 Pb2 -","- B20 Br4 O36 Pb8 -","4","1","WM6030","Yakubovich, Olga V.; Mochenova, Natalya N.; Dimitrova, Olga. V.; Massa, Werner","Reinvestigation of the Pb~2~[B~5~O~9~]Br structure based on single-crystal data","Acta Crystallographica, Section E","2004","60","11","i127","i130","10.1107/S1600536804023232","","","0.71073","MoKα","","0.0383","0.0344","","","0.0776","0.0803","","","","","","1.064","","","","has coordinates","282068","2023-03-26","10:12:36",""
"2213381","6.285","0.002","26.91","0.003","4.78","0.002","90","","90","","90","","808.4","0.4","298","2","298","2","","","","","","","","4","P n n 2","P 2 -2n","34","2,2'-[(1,3-propylene)dioxybis(nitrilomethylidyne)]diphenol","2,2'-[(Propane-1,3-diyldioxy)bis(nitrilomethylidyne)]diphenol","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C34 H36 N4 O8 -","2","0.5","HG2218","Jin-Gui Duan; Chen-Ming Dong; Jun-Yan Shi; Lei Wu; Wen-Kui Dong","2,2'-[(Propane-1,3-diyldioxy)bis(nitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2007","63","5","o2704","o2705","10.1107/S1600536807019277","","","0.71073","MoKα","","0.0522","0.0375","","","0.0953","0.1084","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2224008","10.232","0.01","12.054","0.012","4.208","0.004","90","","90","","90","","519","0.9","93","2","93","2","","","","","","","","4","P n n 2","P 2 -2n","34","","<i>N</i>-(5-Amino-1<i>H</i>-tetrazol-1-yl)formamide","","- C2 H4 N6 O -","- C2 H4 N6 O -","- C8 H16 N24 O4 -","4","1","SI2213","He, Chun-Lin; Du, Zhi-Ming; Tang, Zheng-Qiang; Cong, Xiao-Min; Meng, Ling-Qiao","<i>N</i>-(5-Amino-1<i>H</i>-tetrazol-1-yl)formamide","Acta Crystallographica Section E","2009","65","11","o2901","","10.1107/S1600536809044833","","","0.71073","MoKα","","0.0438","0.0362","","","0.0862","0.0887","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2232058","17.9119","0.0006","9.7744","0.0003","13.3835","0.0004","90","","90","","90","","2343.16","0.13","296","2","296","2","","","","","","","","6","P n n 2","P 2 -2n","34","","Bis(triphenylphosphanylidene)iminium dichloridotriphenylstannate(IV)","","- C54 H45 Cl2 N P2 Sn -","- C54 H45 Cl2 N P2 Sn -","- C108 H90 Cl4 N2 P4 Sn2 -","2","0.5","SU2296","De Lorentiis, Lucio; Graiff, Claudia; Predieri, Giovanni","Bis(triphenylphosphanylidene)iminium dichloridotriphenylstannate(IV)","Acta Crystallographica Section E","2011","67","10","m1356","","10.1107/S1600536811035422","","","0.71073","MoKα","","0.0305","0.0253","","","0.0623","0.0648","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235695","12.6323","0.0005","19.8608","0.0007","5.1267","0.0002","90","","90","","90","","1286.23","0.08","100","2","100","2","","","","","","","","5","P n n 2","P 2 -2n","34","","6-Amino-4-(3-iodoanilino)-2-methylpyrimidin-1-ium chloride","","- C11 H12 Cl I N4 -","- C11 H12 Cl I N4 -","- C44 H48 Cl4 I4 N16 -","4","1","XU5569","Zaghary, Wafaa A.; Geffken, Detlef; Ng, Seik Weng","6-Amino-4-(3-iodoanilino)-2-methylpyrimidin-1-ium chloride","Acta Crystallographica Section E","2012","68","7","o2235","","10.1107/S1600536812028401","","","0.71073","MoKα","","0.035","0.0318","","","0.0752","0.0777","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2238511","22.3698","0.0011","22.4296","0.0016","15.3707","0.0007","90","","90","","90","","7712.2","0.8","170","2","170","2","","","","","","","","6","P n n 2","P 2 -2n","34","","Poly[[bis[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']bis(thiocyanato-κ<i>N</i>)cobalt(II)] 1,2-bis(pyridin-4-yl)ethene monosolvate dihydrate]","","- C38 H34 Co N8 O2 S2 -","- C38 H34 Co N8 O2 S2 -","- C304 H272 Co8 N64 O16 S16 -","8","2","IS5295","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Poly[[bis[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']bis(thiocyanato-κ<i>N</i>)cobalt(II)] 1,2-bis(pyridin-4-yl)ethene monosolvate dihydrate]","Acta Crystallographica Section E","2013","69","9","m482","","10.1107/S1600536813021107","","","0.71073","MoKα","","0.0628","0.0462","","","0.1009","0.108","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"4000760","13.464","0.008","29.985","0.017","19.717","0.011","90","","90","","90","","7960","8","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C86 H50 Cu9 N40 O22 -","- C86 H50 Cu9 N40 O22 -","- C172 H100 Cu18 N80 O44 -","2","0.5","","Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul","Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks","Chemistry of Materials","2011","23","11","2908","","10.1021/cm2004352","","","0.71073","MoKα","","0.1304","0.0778","","","0.1731","0.1943","","","","","","0.91","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4003661","11.962","0.0008","20.4349","0.0015","8.0383","0.0005","90","","90","","90","","1964.9","0.2","383","2","383","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C6 H21 Bi Cl6 F3 N3 -","- C6 H21 Bi Cl6 F3 N3 -","- C24 H84 Bi4 Cl24 F12 N12 -","4","1","","Chu, Lu-Lu; Zhang, Tie; Gao, Ya-Fang; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","Fluorine Substitution in Ethylamine Triggers Second Harmonic Generation in Noncentrosymmetric Crystalline [NH3CH2CH2F]3BiCl6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02223","","","0.71073","MoKα","","0.0567","0.0469","","","0.1243","0.1309","","","","","","1.02","","","","has coordinates","255323","2020-10-21","18:00:00",""
"4004010","12.2","0.002","6.783","0.0014","10.707","0.002","90","","90","","90","","886","0.3","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C12 H10 Co N4 O4 -","- C12 H10 Co N4 O4 -","- C24 H20 Co2 N8 O8 -","2","0.5","","Kang, Minjung; Kang, Dong Won; Choe, Jong Hyeak; Kim, Hyojin; Kim, Dae Won; Park, Hyein; Hong, Chang Seop","A Robust Hydrogen-Bonded Metal‒Organic Framework with Enhanced Ethane Uptake and Selectivity","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01892","","","0.7","synchrotron","","0.0625","0.0568","","","0.1798","0.1895","","","","","","0.729","","","","has coordinates","267645","2021-07-19","22:39:34",""
"4021427","18.6014","0.0008","19.2511","0.0009","10.3718","0.0005","90","","90","","90","","3714.1","0.3","273","2","273","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- C43 H53 O6 -","- C43 H53 O6 -","- C172 H212 O24 -","4","1","","Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang","Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation","Journal of Organic Chemistry","2006","71","","940","946","10.1021/jo051896z","","","0.71073","MoKα","","0.075","0.0627","","","0.1724","0.1911","","","","","","1.022","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4023491","11.238","0.002","16.985","0.003","4.1132","0.0008","90","","90","","90","","785.1","0.3","120","2","120","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C12 H20 N8 O4 -","- C14 H20 N8 O4 -","- C28 H40 N16 O8 -","2","0.5","","Marek Stancl; Marek Necas; Jan Taraba; Vladimir Sindelar","Glycoluril Dimers Bearing Hydrogen Atoms on Their Convex Face and Their Self-Assembly in the Solid State","Journal of Organic Chemistry","2008","73","","4671","4675","10.1021/jo800699s","","","0.71073","MoKα","","0.0849","0.0617","","","0.1242","0.1336","","","","","","1.065","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4025329","17.463","0.003","18.85","0.004","3.9169","0.001","90","","90","","90","","1289.4","0.5","150","","150","","","","","","","","","3","P n n 2","P 2 -2n","34","","13-methylpurino[8,9-f]phenanthridine","","- C18 H12 N4 -","- C18 H12 N4 -","- C72 H48 N16 -","4","1","","Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek","Intramolecular Direct C-H Arylation Approach to Fused Purines. Synthesis of Purino[8,9-f]phenanthridines and 5,6-Dihydropurino[8,9-a]isoquinolines","Journal of Organic Chemistry","2010","75","7","2302","2308","10.1021/jo100111t","","x-ray","1.54184","CuKα","","0.08","0.0529","","0.0818","0.066","0.0685","","","","","","1.0897","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026876","10.0897","0.0008","10.5987","0.0009","6.5148","0.0005","90","","90","","90","","696.68","0.1","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C13 H18 N4 O6 -","- C13 H12 N4 O6 -","- C26 H24 N8 O12 -","2","0.5","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0449","0.0433","","","0.1289","0.132","","","","","","0.81","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4034229","6.9454","0.0001","19.9965","0.0004","10.6578","0.0001","90","","90","","90","","1480.19","0.04","93","","93","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C34 H33.5 F3 N2 O3.25 S -","- C34 H33.5 F3 N2 O3.25 S -","- C68 H67 F6 N4 O6.5 S2 -","2","0.5","","Funabiki, Kazumasa; Saito, Yuki; Kikuchi, Takashi; Yagi, Kazutaka; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Miwa, Yohei; Yoshida, Michiyuki; Sakurada, Osamu; Kutsumizu, Shoichi","Aromatic Fluorine-Induced One-Pot Synthesis of Ring-Perfluorinated Trimethine Cyanine Dye and Its Remarkable Fluorescence Properties.","The Journal of organic chemistry","2019","84","7","4372","4380","10.1021/acs.joc.9b00378","","x-ray","1.54184","CuKα","","0.0347","0.0338","","","0.0965","0.0976","","","","","","1.059","","","","has coordinates,has disorder","222772","2020-10-21","18:00:00",""
"4071285","13.101","0.003","29.389","0.006","10.898","0.002","90","","90","","90","","4196","1.5","173","2","173","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C74 H94 Cl4 N4 O8 Pd3 -","- C74 H94 Cl4 N4 O8 Pd3 -","- C148 H188 Cl8 N8 O16 Pd6 -","2","0.5","","Chitanda, Jackson M.; Prokopchuk, Demyan E.; Quail, J. Wilson; Foley, Stephen R.","From Pyrroles to Isoindolines: Synthesis of a γ-Diimine Ligand for Applications in Palladium Coordination Chemistry and Catalysis","Organometallics","2008","27","10","2337","","10.1021/om800080e","","","0.71073","MoKα","","0.0544","0.0444","","","0.1106","0.1167","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4072195","16.4657","0.0008","12.1496","0.0006","8.7833","0.0005","90","","90","","90","","1757.11","0.16","150","2","150","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C34 H58 Li2 N4 O2 -","- C34 H58 Li2 N4 O2 -","- C68 H116 Li4 N8 O4 -","2","0.5","","Armstrong, David R.; Drummond, Allison M.; Balloch, Liam; Graham, David V.; Hevia, Eva; Kennedy, Alan R.","Metalation of 2,4,6-Trimethylacetophenone Using Organozinc Reagents: The Role of the Base in Determining Composition and Structure of the Developing Enolate","Organometallics","2008","27","22","5860","","10.1021/om800658s","","","0.71073","MoKα","","0.0739","0.0395","","","0.0768","0.084","","","","","","0.865","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4074984","12.4277","0.0009","17.2432","0.0012","8.6138","0.0003","90","","90","","90","","1845.9","0.2","123","2","123","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C34 H58 N4 Na2 O2 -","- C34 H58 N4 Na2 O2 -","- C68 H116 N8 Na4 O4 -","2","0.5","","Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.","Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone†","Organometallics","2006","25","7","1778","","10.1021/om051076c","","","0.71073","MoKα","","0.0787","0.0568","","","0.1398","0.1547","","","","","","1.051","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4078782","20.9687","0.0018","22.0733","0.0019","9.3097","0.0008","90","","90","","90","","4309","0.6","125","2","125","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C46 H54 As2 Zr -","- C46 H54 As2 Zr -","- C184 H216 As8 Zr4 -","4","1","","Elrod, L. Taylor; Boxwala, Hussain; Haq, Hira; Zhao, Annie W.; Waterman, Rory","As‒As Bond Formation via Reductive Elimination from a Zirconocene Bis(dimesitylarsenide) Compound","Organometallics","2012","31","14","5204","","10.1021/om300415q","","","0.71073","MoKα","","0.0279","0.0254","","","0.063","0.0639","","","","","","1.042","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078981","11.929","0.005","15.792","0.008","10.267","0.005","90","","90","","90","","1934.1","1.6","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C16 H27 N5 O Ti -","- C16 H27 N5 O Ti -","- C64 H108 N20 O4 Ti4 -","4","1","","Chen, Zhou; Wu, Jian; Chen, Yanmei; Li, Lei; Xia, Yuanzhi; Li, Yahong; Liu, Wei; Lei, Tao; Yang, Lijuan; Gao, Dandan; Li, Wu","Rapid Access to Substituted Piperazines via Ti(NMe2)4-Mediated C‒C Bond-Making Reactions","Organometallics","2012","31","17","6005","","10.1021/om300022u","","","0.71073","MoKα","","0.1191","0.0825","","","0.1917","0.2196","","","","","","1.011","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4079030","14.36","0.002","14.585","0.002","9.2908","0.0014","90","","90","","90","","1945.9","0.5","103","2","103","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C28 H66 Al2 O8 Si2 -","- C28 H66 Al2 O8 Si2 -","- C56 H132 Al4 O16 Si4 -","2","0.5","","Roux, Erwan Le; Liang, Yucang; Törnroos, Karl W.; Nief, François; Anwander, Reiner","Heterogenization of Lanthanum and Neodymium Monophosphacyclopentadienyl Bis(tetramethylaluminate) Complexes onto Periodic Mesoporous Silica SBA-15","Organometallics","2012","31","18","6526","","10.1021/om300168s","","","0.71073","MoKα","","0.0576","0.0571","","","0.1802","0.1813","","","","","","1.062","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4083033","19.513","0.002","13.4026","0.0016","17.861","0.002","90","","90","","90","","4671.1","0.9","100","2","100","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C56 H57 Cl Ni P2 -","- C56.007 H57.007 Cl Ni P2 -","- C224.028 H228.028 Cl4 Ni4 P8 -","4","1","","Standley, Eric A.; Smith, Stacey J.; Müller, Peter; Jamison, Timothy F.","A Broadly Applicable Strategy for Entry into Homogeneous Nickel(0) Catalysts from Air-Stable Nickel(II) Complexes.","Organometallics","2014","33","8","2012","2018","10.1021/om500156q","","","0.71073","MoKα","","0.0585","0.0543","","","0.1478","0.15","","","","","","1.081","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4084270","10.01","0.002","11.767","0.002","12.451","0.003","90","","90","","90","","1466.6","0.5","140","2","140","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C35 H37 Al N2 -","- C35 H37 Al N2 -","- C70 H74 Al2 N4 -","2","0.5","","Gianopoulos, Christopher G.; Kirschbaum, Kristin; Mason, Mark R.","Mono- and Bimetallic Aluminum Alkyl, Aryl, and Hydride Complexes of a Bulky Dipyrromethene Ligand","Organometallics","2014","33","17","4503","","10.1021/om500730g","","","0.71073","MoKα","","0.0442","0.038","","","0.0935","0.0969","","","","","","1.032","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4087438","12.5309","0.0009","12.6212","0.0008","10.2845","0.0006","90","","90","","90","","1626.55","0.18","298","2","298","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C28 H46 Fe3 S6 -","- C28 H46 Fe3 S6 -","- C56 H92 Fe6 S12 -","2","0.5","","Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping","Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes","Organometallics","2015","34","9","1661","","10.1021/acs.organomet.5b00118","","","0.71073","MoKα","","0.0407","0.0366","","","0.1061","0.1102","","","","","","1","","","","has coordinates","236796","2020-10-21","18:00:00",""
"4103070","11.561","0.004","11.7","0.004","6.524","0.002","90","","90","","90","","882.5","0.5","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- B5 I O9 Pb2 -","- B5 I O9 Pb2 -","- B20 I4 O36 Pb8 -","4","1","","Yi-Zhi Huang; Li-Ming Wu; Xin-Tao Wu; Long-Hua Li; Ling Chen; Yong-Fan Zhang","Pb2B5O9I: An Iodide Borate with Strong Second Harmonic Generation","Journal of the American Chemical Society","2010","132","","12788","12789","10.1021/ja106066k","","","0.71073","MoKα","","0.0475","0.0454","","","0.1185","0.1212","","","","","","1.14","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103231","12.8741","0.0005","14.0942","0.0005","11.3501","0.0004","90","","90","","90","","2059.48","0.13","100","2","100","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Cr2 Mn N12 -","- C41 H34 Cl4 Cr2 Mn N12 -","- C82 H68 Cl8 Cr4 Mn2 N24 -","2","0.5","","Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry","Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences","Journal of the American Chemical Society","2010","132","","14261","14272","10.1021/ja106510g","","","0.71073","MoKα","","0.0781","0.0498","","","0.1063","0.1149","","","","","","0.953","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4109152","12.8093","0.0004","20.1356","0.0006","9.2275","0.0003","90","","90","","90","","2379.98","0.13","294","2","294","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C40 H60 O10 Os3 P2 Pt2 -","- C40 H60 O10 Os3 P2 Pt2 -","- C80 H120 O20 Os6 P4 Pt4 -","2","0.5","","Richard D. Adams; Burjor Captain; Lei Zhu","Facile Activation of Hydrogen by an Unsaturated Platinum-Osmium Cluster Complex","Journal of the American Chemical Society","2007","129","","2454","2455","10.1021/ja0688272","","","0.71073","MoKα","","0.0375","0.0304","","","0.0605","0.0636","","","","","","1.033","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4110086","12.8741","0.0005","14.0942","0.0005","11.3501","0.0004","90","","90","","90","","2059.48","0.13","100","2","100","2","","","","","","","","6","P n n 2","P 2 -2n","34","CrCrFe(dpa)4Cl2.CH2Cl2","","","- C41 H34 Cl4 Cr2 Fe N12 -","- C41 H34 Cl4 Cr2 Fe N12 -","- C82 H68 Cl8 Cr4 Fe2 N24 -","2","0.5","","Michael Nippe; John F. Berry","Introducing a Metal-Metal Multiply Bonded Group as an ""Axial Ligand"" to Iron: Synthetic Design of a Linear Cr-Cr...Fe Framework","Journal of the American Chemical Society","2007","129","","12684","12685","10.1021/ja076337j","","","0.71073","Mo-Kα","","0.0257","0.0254","","","0.0757","0.076","","","","","","0.993","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4112638","12.9961","0.0016","14.1381","0.0008","11.3306","0.0013","90","","90","","90","","2081.9","0.4","213","2","213","2","","","","","","","","5","P n n 2","P 2 -2n","34","Cr3(dpa)4Cl2, CH2Cl2","","","- C41 H34 Cl4 Cr3 N12 -","- C41 H33 Cl4 Cr3 N12 -","- C82 H66 Cl8 Cr6 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0533","0.0449","","","0.1078","0.1155","","","","","","1.079","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112643","13.32","0.005","14.299","0.006","11.46","0.005","90","","90","","90","","2182.7","1.6","293","2","213","2","","","","","","","","6","P n n 2","P 2 -2n","34","Cr3(dpa)4I2, CH2Cl2","","","- C41 H34 Cl2 Cr3 I2 N12 -","- C41 H34 Cl2 Cr3 I2 N12 -","- C82 H68 Cl4 Cr6 I4 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0282","0.0257","","","0.0671","0.0692","","","","","","1.042","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112644","13.0976","0.0013","14.2026","0.0014","11.4101","0.0011","90","","90","","90","","2122.5","0.4","293","2","213","2","","","","","","","","6","P n n 2","P 2 -2n","34","Cr3(dpa)4Br2, CH2Cl2","","","- C41 H34 Br2 Cl2 Cr3 N12 -","- C41 H34 Br2 Cl2 Cr3 N12 -","- C82 H68 Br4 Cl4 Cr6 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0319","0.0262","","","0.0644","0.0673","","","","","","1.042","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112647","13.2514","0.0008","14.1573","0.0008","11.4203","0.0007","90","","90","","90","","2142.5","0.2","293","2","213","2","","","","","","","","5","P n n 2","P 2 -2n","34","Cr3(dpa)4(CN)2.CH2Cl2","","","- C43 H34 Cl2 Cr3 N14 -","- C43 H34 Cl2 Cr3 N14 -","- C86 H68 Cl4 Cr6 N28 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0281","0.0255","","","0.0667","0.0685","","","","","","1.057","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4116061","12.9014","0.0006","14.0313","0.0006","11.2384","0.0001","90","","90","","90","","2034.41","0.13","296","2","296","2","","","","","","","synthesis","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0379","0.036","","0.092","0.0902","","","","1.097","1.097","1.097","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4117037","12.996","0.002","14.1381","0.0008","11.3306","0.0013","90","","90","","90","","2081.9","0.4","213","2","213","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Cr3 N12 -","- C40.5 H31 Cl3.5 Cr3 N12 -","- C81 H62 Cl7 Cr6 N24 -","2","0.5","","Cotton, F. Albert; Daniels, Lee M.; Murillo, Carlos A.; Pascual, Isabel","Compounds with Linear, Bonded Trichromium Chains","Journal of the American Chemical Society","1997","119","42","10223","10224","10.1021/ja971998+","","","0.71073","MoKα","","0.0644","0.0557","","0.151","0.1438","","","","1.401","1.417","1.417","","","","","has coordinates,has disorder","270159","2021-10-29","11:47:50",""
"4117051","12.8145","0.0009","13.955","0.001","11.166","0.0009","90","","90","","90","","1996.8","0.3","168","2","168","2","","","","","","","synthesis","5","P n n 2","P 2 -2n","34","","","","- C42 H36 Cl6 Co3 N12 -","- C41 H32 Cl4 Co3 N12 -","- C82 H64 Cl8 Co6 N24 -","2","0.5","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.0468","0.0325","","0.0836","0.0775","","","","1.035","1.046","1.046","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4130008","14.215","0.002","17.0473","0.0014","24.193","0.003","90","","90","","90","","5862.6","1.2","100","2","100","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C72 H162 Cs3 N O24 Si6 U2 -","- C72 H162 Cs3 N O24 Si6 U2 -","- C144 H324 Cs6 N2 O48 Si12 U4 -","2","0.5","","Chatelain, Lucile; Scopelliti, Rosario; Mazzanti, Marinella","Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes.","Journal of the American Chemical Society","2016","138","6","1784","1787","10.1021/jacs.5b12620","","","0.71073","MoKα","","0.084","0.0613","","","0.154","0.1756","","","","","","1.054","","","","has coordinates","240603","2020-10-21","18:00:00",""
"4134428","13.065","0.0004","29.3865","0.0009","11.9523","0.0004","90","","90","","90","","4588.9","0.3","120","2","120","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C84 H80 F24 Fe2 N20 P4 -","- C84 H80 F24 Fe2 N20 P4 -","- C168 H160 F48 Fe4 N40 P8 -","2","0.5","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.069","0.0652","","","0.1489","0.1511","","","","","","1.081","","","","has coordinates","250084","2020-10-21","18:00:00",""
"4300091","12.996","0.002","14.1381","0.0008","11.3306","0.0013","90","","90","","90","","2081.9","0.4","213","2","213","2","","","","","","","synthesis","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Cr3 N12 -","- C41 H31 Cl4 Cr3 N12 -","- C82 H62 Cl8 Cr6 N24 -","2","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual","Linear Trichromium Complexes with Direct Cr to Cr Contacts. 1. Compounds with Cr3(dipyridylamide)42+ Cores","Inorganic Chemistry","2000","39","","748","751","10.1021/ic990793u","","","0.71073","MoKα","","0.0528","0.0444","","0.1176","0.1091","","","","1.11","1.093","1.093","","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00",""
"4303348","17.087","0.003","25.441","0.005","14.559","0.003","90","","90","","90","","6329","2","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C99 H176 O27 Si14 Ti2 -","- C98 H166 O27 Si14 Ti2 -","- C196 H332 O54 Si28 Ti4 -","2","0.5","","Olle Viotti; Gulaim A. Seisenbaeva; Vadim G. Kessler","Tripodal Tetrahedral Titanium Coordination in the Silica-Grafted Titania Epoxidation Catalysts: Is Not It Only a Myth? Selective Formation of [Cy7Si7O12Ti]2(μ-OR)2(μ-ROH) Cores on Thermal ""Dissociation"" of Alkoxytitanasilsesquioxanes","Inorganic Chemistry","2009","48","","9063","9065","10.1021/ic901503y","","","0.71073","MoKα","","0.186","0.1327","","","0.2764","0.2954","","","","","","1.19","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4303349","17.133","0.003","25.514","0.005","14.785","0.003","90","","90","","90","","6463","2","273","2","273","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C102 H182 O27 Si14 Ti2 -","- C102 H172 O27 Si14 Ti2 -","- C204 H344 O54 Si28 Ti4 -","2","0.5","","Olle Viotti; Gulaim A. Seisenbaeva; Vadim G. Kessler","Tripodal Tetrahedral Titanium Coordination in the Silica-Grafted Titania Epoxidation Catalysts: Is Not It Only a Myth? Selective Formation of [Cy7Si7O12Ti]2(μ-OR)2(μ-ROH) Cores on Thermal ""Dissociation"" of Alkoxytitanasilsesquioxanes","Inorganic Chemistry","2009","48","","9063","9065","10.1021/ic901503y","","","0.71073","MoKα","","0.1251","0.0975","","","0.2433","0.2562","","","","","","1.075","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4305940","14.992","0.002","25.426","0.004","30.046","0.004","90","","90","","90","","11453","3","173","2","173","2","","","","","","","","8","P n n 2","P 2 -2n","34","","","","- C20 H154 Cu5 N20 Na11 Nb32 O147 Si8 -","- C20 H80 Cu5 N20 Na11 Nb32 O147 Si8 -","- C40 H160 Cu10 N40 Na22 Nb64 O294 Si16 -","2","0.5","","Travis M. Anderson; Todd M. Alam; Mark A. Rodriguez; Joel N. Bixler; Wenqian Xu; John B. Parise; May Nyman","Cupric Siliconiobate. Synthesis and Solid-State Studies of a Pseudosandwich-Type Heteropolyanion","Inorganic Chemistry","2008","47","","7834","7839","10.1021/ic800860q","","","0.71073","MoKα","","0.0686","0.0604","","","0.1768","0.186","","","","","","1.104","","","","has coordinates","289031","2024-01-11","08:36:03",""
"4308225","12.0543","0.0003","26.575","0.0006","8.9479","0.0002","90","","90","","90","","2866.4","0.12","294","2","294","2","","","","","","","","8","P n n 2","P 2 -2n","34","","","","- C41 H54 Cl O16 Os4 P2 Pt2 Sn -","- C41 H54 Cl O16 Os4 P2 Pt2 Sn -","- C82 H108 Cl2 O32 Os8 P4 Pt4 Sn2 -","2","0.5","","Richard D. Adams; Burjor Captain; Lei Zhu","Addition of Pt(PBut3) to Osmium-Tin Cluster Complexes","Inorganic Chemistry","2007","46","","4605","4611","10.1021/ic070261a","","","0.71073","MoKα","","0.0241","0.0222","","","0.0575","0.0589","","","","","","1.042","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4309468","11.0265","0.0012","18.1828","0.0019","10.0621","0.0011","90","","90","","90","","2017.4","0.4","213","2","273","2","","","","","","","","5","P n n 2","P 2 -2n","34","Pd2(omet-dpb)2(OAc)2, 2MeOH","","","- C44 H44 N4 O6 Pd2 -","- C44 H44 N4 O6 Pd2 -","- C88 H88 N8 O12 Pd4 -","2","0.5","","John F. Berry; F. Albert Cotton; Sergey A. Ibragimov; Carlos A. Murillo; Xiaoping Wang","Searching for Precursors to Metal-Metal Bonded Dipalladium Species: A Study of Pd24+ Complexes","Inorganic Chemistry","2005","44","","6129","6137","10.1021/ic050876c","","","0.71073","MoKα","","0.0276","0.0207","","","0.0473","0.0512","","","","","","1.036","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4312973","12.8757","0.0008","14.0119","0.0009","11.3144","0.0007","90","","90","","90","","2041.3","0.2","160","2","160","2","","","","","","","synthesis","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Cu3 N12 -","- C41 H34 Cl4 Cu3 N12 -","- C82 H68 Cl8 Cu6 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Peng Lei; Carlos A. Murillo","Further Structural and Magnetic Studies of Tricopper Dipyridylamido Complexes","Inorganic Chemistry","2003","42","","377","382","10.1021/ic025957c","","","0.71073","MoKα","","0.0298","0.027","","0.0712","0.0695","","","","1.06","1.077","1.077","","","","","has coordinates","179181","2020-10-21","18:00:00",""
"4312974","12.952","0.011","14.113","0.012","11.43","0.009","90","","90","","90","","2089","3","298","2","298","2","","","","","","","synthesis","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Cu3 N12 -","- C41 H34 Cl4 Cu3 N12 -","- C82 H68 Cl8 Cu6 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Peng Lei; Carlos A. Murillo","Further Structural and Magnetic Studies of Tricopper Dipyridylamido Complexes","Inorganic Chemistry","2003","42","","377","382","10.1021/ic025957c","","","0.71073","MoKα","","0.0297","0.0268","","0.0701","0.0684","","","","1.055","1.072","1.072","","","","","has coordinates","179181","2020-10-21","18:00:00",""
"4314345","41.396","0.002","14.383","0.001","20.626","0.001","90","0.002","90","0.002","90","0.002","12280.7","1.2","293","2","293","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C67 H71 B Co N4 O2 -","- C67 H71 B Co N4 O2 -","- C536 H568 B8 Co8 N32 O16 -","8","2","","Olivier Cador; Françoise Chabre; Andrea Dei; Claudio Sangregorio; Joris Van Slageren; Maria G. F. Vaz","Temperature-Induced Solid-State Valence Tautomeric Interconversion in Two Cobalt-Schiff Base Diquinone Complexes","Inorganic Chemistry","2003","42","","6432","6440","10.1021/ic034210z","","","1.54178","CuKα","","0.1277","0.07","","","0.1081","0.1223","","","","","","1.039","","","","has coordinates","179216","2020-10-21","18:00:00",""
"4316438","21.334","0.004","23.745","0.005","13.874","0.003","90","","90","","90","","7028","2","150","2","150","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C104 H192 N24 O42 Pd6 -","- C104 H192 N24 O42 Pd6 -","- C208 H384 N48 O84 Pd12 -","2","0.5","","Arun Kumar Bar; Golam Mostafa; Partha Sarathi Mukherjee","A Pd6 Molecular Cage via Multicomponent Self-Assembly Incorporating Both Neutral and Anionic Linkers","Inorganic Chemistry","2010","49","","7647","7649","10.1021/ic101139s","","","0.71073","MoKα","","0.0697","0.0658","","","0.1516","0.1539","","","","","","1.09","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4319418","12.999","0.0006","13.972","0.0007","11.227","0.0006","90","","90","","90","","2039.07","0.18","213","2","213","2","","","","","","","synthesis","5","P n n 2","P 2 -2n","34","","","","- C43 H34 Cl2 Co3 N14 -","- C43 H32 Cl2 Co3 N14 -","- C86 H64 Cl4 Co6 N28 -","2","0.5","","Rodolphe Clérac; F. Albert Cotton; Stephen P. Jeffery; Carlos A. Murillo; Xiaoping Wang","Compounds with Symmetrical Tricobalt Chains Wrapped by Dipyridylamide Ligands and Cyanide or Isothiocyanate Ions as Terminal Ligands","Inorganic Chemistry","2001","40","","1265","1270","10.1021/ic001069a","","","0.71073","MoKα","","0.0299","0.0272","","0.0687","0.0669","","","","1.068","1.073","1.073","","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4324037","16.178","0.005","12.784","0.004","10.427","0.002","90","","90","","90","","2156.5","1","270","1","270","1","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C17 H30 Cl16 O8 Sb2 Ti -","- C17 H30 Cl16 O8 Sb2 Ti -","- C34 H60 Cl32 O16 Sb4 Ti2 -","2","0.5","","Piotr Sobota; Sławomir Szafert","Ionization of TiCl4 and MgCl2 during the Formation of a High-Activity α-Olefin Polymerization Catalyst. Crystal Structures of [cis-{C2H4(CO2Et)2}2Cl2Ti][SbCl6]2.CH2Cl2 and [Mg{C2H4(CO2Et)2}3][MgCl4].2CH2Cl2","Inorganic Chemistry","1996","35","","1778","1781","10.1021/ic9504093","","","0.71073","MoKα","","","0.0361","","","0.0859","","","","","1.17","1.17","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324974","15.136","0.003","16.413","0.003","14.909","0.003","90","","90","","90","","3703.8","1.2","100","2","100","2","","","","","","","","8","P n n 2","P 2 -2n","34","","","","- C72 H80 B2 F8 N5 Ni O8.5 P4 -","- C72 H80 B2 F8 N5 Ni O8.5 P4 -","- C144 H160 B4 F16 N10 Ni2 O17 P8 -","2","0.5","","Avijita Jain; Sheri Lense; John C. Linehan; Simone Raugei; Herman Cho; Daniel L. DuBois; Wendy J. Shaw","Incorporating Peptides in the Outer-Coordination Sphere of Bioinspired Electrocatalysts for Hydrogen Production","Inorganic Chemistry","2011","50","","4073","4085","10.1021/ic1025872","","","0.71073","MoKα","","0.1539","0.0847","","","0.2007","0.2294","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325963","12.8753","0.0004","14.0725","0.0004","11.3494","0.0004","90","","90","","90","","2056.37","0.11","100","","100","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Cr2 N12 Zn -","- C41 H34 Cl4 Cr2 N12 Zn -","- C82 H68 Cl8 Cr4 N24 Zn2 -","2","0.5","","Michael Nippe; Eckhard Bill; John F. Berry","Group 6 Complexes with Iron and Zinc Heterometals: Understanding the Structural, Spectroscopic, and Electrochemical Properties of a Complete Series of M M...M' Compounds","Inorganic Chemistry","2011","50","","7650","7661","10.1021/ic2011315","","","0.71073","MoKα","","0.0257","0.0252","","","0.0652","0.0654","","","","","","1.102","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4328240","14.4108","0.0007","14.823","0.0007","10.9922","0.0005","90","","90","","90","","2348.06","0.19","90","2","90","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- C54 H79 Co -","- C54 H79 Co -","- C108 H158 Co2 -","2","0.5","","Hao Lei; James C. Fettinger; Philip P. Power","Reduction of Terphenyl Co(II) Halide Derivatives in the Presence of Arenes: Insertion of Co(I) into a C-F Bond","Inorganic Chemistry","2012","51","","1821","1826","10.1021/ic202116s","","","0.71073","MoKα","","0.0535","0.0467","","","0.1155","0.1211","","","","","","1.067","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328241","14.4101","0.0004","14.8119","0.0003","10.9705","0.0002","90","","90","","90","","2341.55","0.09","90","2","90","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C54 H78 Co F -","- C54 H77.98 Co F1.02 -","- C108 H155.96 Co2 F2.04 -","2","0.5","","Hao Lei; James C. Fettinger; Philip P. Power","Reduction of Terphenyl Co(II) Halide Derivatives in the Presence of Arenes: Insertion of Co(I) into a C-F Bond","Inorganic Chemistry","2012","51","","1821","1826","10.1021/ic202116s","","","1.54178","CuKα","","0.0695","0.0615","","","0.1656","0.175","","","","","","1.06","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4329359","11.352","0.002","15.584","0.003","10.6461","0.0019","90","","90","","90","","1883.4","0.6","90","0.1","90","0.1","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C16 H22 Cu N4 O7 -","- C16 H22.02 Cu N4 O7 -","- C64 H88.08 Cu4 N16 O28 -","4","1","","Eszter Boros; Jacqueline F. Cawthray; Cara L. Ferreira; Brian O. Patrick; Michael J. Adam; Chris Orvig","Evaluation of the H2dedpa Scaffold and its cRGDyK Conjugates for Labeling with 64Cu","Inorganic Chemistry","2012","51","","6279","6284","10.1021/ic300482x","","","0.71073","MoKα","","0.023","0.0215","","","0.052","0.0526","","","","","","1.068","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329697","12.4903","0.0002","24.7645","0.0005","12.1277","0.0002","90","","90","","90","","3751.29","0.11","100","2","100","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C60 H60 B2 Cl2 Co2 F8 N20 -","- C60 H60 B2 Cl2 Co2 F8 N20 -","- C120 H120 B4 Cl4 Co4 F16 N40 -","2","0.5","","David Schweinfurth; Serhiy Demeshko; Marat M. Khusniyarov; Sebastian Dechert; Venkatanarayana Gurram; Michael R. Buchmeiser; Franc Meyer; Biprajit Sarkar","Capped-Tetrahedrally Coordinated Fe(II) and Co(II) Complexes Using a ""Click""-Derived Tripodal Ligand: Geometric and Electronic Structures","Inorganic Chemistry","2012","51","","7592","7597","10.1021/ic300392e","","","0.71073","MoKα","","0.0751","0.052","","","0.1182","0.1262","","","","","","0.935","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4330403","12.7396","0.0011","14.0609","0.0013","17.5723","0.0015","90","","90","","90","","3147.7","0.5","100","2","100","2","","","","","","","","8","P n n 2","P 2 -2n","34","","","","- C3 H28 I N2 O24 P8 Pt2 Rb2 -","- C3 H12 I N2 O24 P8 Pt2 Rb2 -","- C12 H48 I4 N8 O96 P32 Pt8 Rb8 -","4","1","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.054","0.0316","","","0.0536","0.057","","","","","","0.836","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4331451","11.503","","11.382","","6.484","","90","","90","","90","","848.932","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Eu2 (B5 O9 Br)","","- B5 Br Eu2 O9 -","- B5 Br Eu2 O9 -","- B20 Br4 Eu8 O36 -","4","1","","Machida, K.I.; Kasai, N.; Yasuoka, N.; Shiokawa, J.; Adachi, G.Y.","Crystal structure of europium(II) bromoborate","Inorganic Chemistry","1980","19","","3807","3811","10.1021/ic50214a043","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332714","12.0653","0.0017","15.218","0.002","15.969","0.003","90","","90","","90","","2932.1","0.8","296","2","296","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C32 H41 Fe2 N2 -","- C32 H41 Fe2 N2 -","- C128 H164 Fe8 N8 -","4","1","","Takemoto, Shin; Ogura, Shin-ichiro; Yo, Ho; Hosokoshi, Yuko; Kamikawa, Ken; Matsuzaka, Hiroyuki","Diiron Amido−Imido Complex [(Cp*Fe)2(μ2-NHPh)(μ2-NPh)]: Synthesis and a Net Hydrogen Atom Abstraction Reaction To Form a Bis(imido) Complex","Inorganic Chemistry","2006","45","13","4871","4873","10.1021/ic060744z","","","0.71075","MoKα","","0.086","0.0485","","","0.1162","0.1309","","","","","","1.008","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4335617","11.5824","0.0007","11.7664","0.0007","4.5657","0.0002","90","","90","","90","","622.23","0.06","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- B3 H2 O7.5 Pb2 -","- B3 H2 O7.5 Pb2 -","- B12 H8 O30 Pb8 -","4","1","","Jun-Ling Song; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","Pb2B3O5.5(OH)2 and [Pb3(B3O7)](NO3): Facile Syntheses of New Lead(II) Borates by Simply Changing the pH Values of the Reaction Systems","Inorganic Chemistry","2013","52","","8979","8986","10.1021/ic401175r","","","0.71073","MoKα","","0.0242","0.0217","","","0.0385","0.0394","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335928","14.18","0.01","23.34","0.016","10.729","0.007","90","","90","","90","","3551","4","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C24 H25 Cu3 N11 O7 -","- C24 H25 Cu3 N11 O7 -","- C96 H100 Cu12 N44 O28 -","4","1","","Javeed Ahmad Sheikh; Himanshu Sekhar Jena; Amit Adhikary; Sajal Khatua; Sanjit Konar","An Unprecedented Octadecanuclear Copper(II) Pyrazolate-Phosphonate Nanocage: Synthetic, Structural, Magnetic, and Mechanistic Study","Inorganic Chemistry","2013","52","","9717","9719","10.1021/ic401754q","","","0.71073","MoKα","","0.0996","0.0644","","","0.1921","0.2129","","","","","","1.059","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4346370","21.242","0.004","36.15","0.006","10.995","0.002","90","","90","","90","","8443","3","100","2","100","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C55 H120 P8 S16 U2 -","- C55 H120 P8 S16 U2 -","- C220 H480 P32 S64 U8 -","4","1","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0437","0.0335","","","0.0802","0.0913","","","","","","1.061","","","","has coordinates,has disorder","231748","2020-10-21","18:00:00",""
"4346452","23.0606","0.0016","22.355","0.002","12.2692","0.0007","90","","90","","90","","6325","0.8","150","2","150","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C80 H60 N8 O16 Re4 -","- C80 H60 N8 O16 Re4 -","- C160 H120 N16 O32 Re8 -","2","0.5","","Govindarajan, R.; Nagarajaprakash, R.; Manimaran, Bala","Synthesis, Structural Characterization, and Host-Guest Studies of Aminoquinonato-Bridged Re(I) Supramolecular Rectangles.","Inorganic chemistry","2015","54","22","10686","10694","10.1021/acs.inorgchem.5b01543","","","0.71073","MoKα","","0.1103","0.0722","","","0.1869","0.2051","","","","","","0.972","","","","has coordinates","231783","2020-10-21","18:00:00",""
"4505104","36.81","0.03","10.419","0.009","11.955","0.01","90","","90","","90","","4585","7","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C46 H32.5 N6 O8.25 Zn2 -","- C46 H32 N6 O8.25 Zn2 -","- C184 H128 N24 O33 Zn8 -","4","1","","Dai, Yu-Mei; Ma, En; Tang, En; Zhang, Jian; Li, Zhao-Ji; Huang, Xu-Dong; Yao, Yuan-Gen","Paratactic Assembly of Two Distinct Units into a Unique 3D Architecture","Crystal Growth & Design","2005","5","4","1313","","10.1021/cg0500425","","","0.71073","MoKα","","","0.049","","","0.1074","0.1575","","","","","","0.959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505154","13.5047","0.001","22.3136","0.0017","6.8889","0.0005","90","","90","","90","","2075.9","0.3","173","2","173","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C15 H25 N4 O9 S -","- C15 H25 N4 O9 S -","- C60 H100 N16 O36 S4 -","4","1","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.71073","MoKα","","0.0789","0.0443","","","0.0918","0.1022","","","","","","1.012","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4517315","11.302","0.007","11.408","0.007","6.494","0.004","90","","90","","90","","837.3","0.9","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- B10 Cl2 O18 Sr4 -","- B10 Cl2 O18 Sr4 -","- B20 Cl4 O36 Sr8 -","2","0.5","","Wang, Zujian; He, Jiangang; Hu, Bing; Shan, Pai; Xiong, Zheyao; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa","Ca<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl and Sr<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows.","ACS applied materials & interfaces","2020","12","4","4632","4637","10.1021/acsami.9b21072","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","247519","2020-10-21","18:00:00",""
"4517316","11.1369","0.0006","11.2626","0.0005","6.2995","0.0003","90","","90","","90","","790.15","0.07","101.3","0.3","101.3","0.3","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- B10 Ca4 Cl2 O18 -","- B10 Ca4 Cl2 O18 -","- B20 Ca8 Cl4 O36 -","2","0.5","","Wang, Zujian; He, Jiangang; Hu, Bing; Shan, Pai; Xiong, Zheyao; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa","Ca<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl and Sr<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows.","ACS applied materials & interfaces","2020","12","4","4632","4637","10.1021/acsami.9b21072","","","0.71073","MoKα","","0.0327","0.0309","","","0.0633","0.0642","","","","","","1.056","","","","has coordinates","247519","2020-10-21","18:00:00",""
"7001718","18.267","0.002","12.2088","0.0017","12.6174","0.0017","90","","90","","90","","2813.9","0.6","293","2","293","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C52 H72 N4 Na2 O2 Zn -","- C52 H72 N4 Na2 O2 Zn -","- C104 H144 N8 Na4 O4 Zn2 -","2","0.5","","Yang, Peiju; Yang, Xiao-Juan; Yu, Jie; Liu, Yanyan; Zhang, Chunxi; Deng, Yu-Heng; Wu, Biao","Zinc compounds with or without Zn‒Zn bond: Alkali metal reduction of LZnCl2 (L = α-diimine ligands)","Dalton Transactions","2009","","29","5773","","10.1039/b904478g","","","0.71073","MoKα","","0.1646","0.0784","","","0.2028","0.253","","","","","","0.986","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001901","13.293","0.003","13.782","0.003","14.011","0.003","90","","90","","90","","2566.9","1","150","2","150","2","","","","","","","","7","P n n 2","P 2 -2n","34","ZnPO-EU2","","","- C9 H56 F0 N9 O41 P10 Zn10 -","- C9 H56 N9 O41 P10 Zn10 -","- C18 H112 N18 O82 P20 Zn20 -","2","0.5","","Liu, Lei; Wragg, David S.; Zhang, Hongyan; Kong, Ying; Byrne, Peter J.; Prior, Timothy J.; Warren, John E.; Lin, Zhuojia; Dong, Jinxiang; Morris, Russell E.","Ionothermal synthesis, structure and characterization of three-dimensional zinc phosphates","Dalton Transactions","2009","","34","6715","6718","10.1039/b906934h","","","0.8462","synchrotron","","0.0399","0.0382","","","0.0962","0.0974","","","","","","1.078","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7003818","38.803","0.003","13.801","0.001","17.579","0.001","90","","90","","90","","9413.9","1.1","100","2","100","2","","","","","","","","8","P n n 2","P 2 -2n","34","","","","- C70 H44 Cu I2.33 N2 O6 P2 S3 -","- C70 H44 Cu I2.33333 N2 O6 P2 S3 -","- C420 H264 Cu6 I14 N12 O36 P12 S18 -","6","1.5","","Suresh, D.; Balakrishna, Maravanji S.; Rathinasamy, Krishnan; Panda, Dulal; Mague, Joel T.","Large-bite bis(phosphite) ligand containing mesocyclic thioether moieties: synthesis, reactivity, group 11 (CuI, AuI) metal complexes and anticancer activity studies on a human cervical cancer (HeLa) cell line","Dalton Transactions","2008","","17","2285","2292","10.1039/b719904j","","","0.71073","MoKα","","0.0691","0.0587","","","0.1257","0.131","","","","","","1.068","","","","has coordinates","179742","2020-10-21","18:00:00",""
"7004565","11.4629","0.0005","15.4564","0.0007","10.6802","0.0005","90","","90","","90","","1892.27","0.15","100","0.2","100","0.2","","","","","","","synthesis as described","5","P n n 2","P 2 -2n","34","","","","- C16 H22 N4 O7 Zn -","- C16 H22 N4 O7 Zn -","- C64 H88 N16 O28 Zn4 -","4","1","","Ferreirós-Martínez, Raquel; Esteban-Gómez, David; Platas-Iglesias, Carlos; de Blas, Andrés; Rodríguez-Blas, Teresa","Zn(ii), Cd(ii) and Pb(ii) complexation with pyridinecarboxylate containing ligands","Dalton Transactions","2008","","42","5754","5765","10.1039/b808631a","","x-ray","0.71073","MoKα","","0.0341","0.0276","","","0.0602","0.0621","","","","","","1.052","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7011181","11.54","0.0005","11.54","0.0007","14.943","0.0005","90","","90","","90","","1989.98","0.16","110","2","110","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C16 H22 Ag Cl N4 O6 -","- C16 H18 Ag Cl N4 O6 -","- C64 H72 Ag4 Cl4 N16 O24 -","4","1","","Goutam Kumar Patra; Israel Goldberg","Coordination polymers of transition metal ions with polydentate imine ligands. Syntheses, materials characterization, and crystal structures of polymeric complexes of copper(I), silver(I) and zinc(II)","J. Chem. Soc., Dalton Trans.","2002","","6","1051","1057","10.1039/b108616b","","","0.7107","MoKα","","0.0666","0.0419","","","0.0967","0.1085","","","","","","1.103","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013172","13.0161","0.0012","14.0693","0.0013","11.4942","0.0011","90","","90","","90","","2104.9","0.3","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","Ni3(dpa)4(CN)2,CH2Cl2","","","- C43 H34 Cl2 N14 Ni3 -","- C43 H34 Cl2 N14 Ni3 -","- C86 H68 Cl4 N28 Ni6 -","2","0.5","","Berry, John F.; Albert Cotton, F.; Murillo, Carlos A.","Making connections with molecular wires: extending tri-nickel chains with axial cyanide, dicyanamide, and phenylacetylide ligands","Dalton Transactions","2003","","15","3015","3021","10.1039/b305258c","","","0.71073","MoKα","","0.0238","0.0228","","","0.0588","0.0598","","","","","","1.055","","","","has coordinates,has disorder","275113","2022-05-06","15:42:25",""
"7014591","21.0703","0.0015","11.378","0.0008","15.0859","0.0011","90","","90","","90","","3616.7","0.4","173","2","173","2","","","","","","","","8","P n n 2","P 2 -2n","34","","","","- C38.5 H32 Cl F6 N2 O3 P2 Re -","- C38.5 H32 Cl F6 N2 O3 P2 Re -","- C154 H128 Cl4 F24 N8 O12 P8 Re4 -","4","1","","Lane, Stephanie Renee; Sisay, Nebiat; Carney, Brett; Dannoon, Shorouk; Williams, Stephen; Engelbrecht, Hendrik Petrus; Barnes, Charles Leslie; Jurisson, Silvia Sabine","Re(V) and Re(III) complexes with sal2phen and triphenylphosphine: rearrangement, oxidation and reduction.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","269","276","10.1039/c0dt00993h","","","0.71073","MoKα","","0.0602","0.0374","","","0.0608","0.0662","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018130","14.512","0.007","22.664","0.012","13.699","0.008","90","","90","","90","","4506","4","150","2","150","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C24 H33 As4 Na4 O31 V5 -","- C24 H12 As4 Na4 O31 V5 -","- C48 H24 As8 Na8 O62 V10 -","2","0.5","","Breen, John M.; Clérac, Rodolphe; Zhang, Lei; Cloonan, Suzanne M.; Kennedy, Elaine; Feeney, Martin; McCabe, Thomas; Williams, D. Clive; Schmitt, Wolfgang","Self-assembly of hybrid organic-inorganic polyoxovanadates: functionalised mixed-valent clusters and molecular cages.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2918","2926","10.1039/c2dt11153e","","","0.7107","MoKα","","0.1127","0.1024","","","0.2742","0.2863","","","","","","1.063","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7025670","10.3287","0.0007","11.7979","0.0008","19.4736","0.0013","90","","90","","90","","2373","0.3","103","2","103","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C52 H70 Ce2 S2 -","- C52 H70 Ce2 S2 -","- C104 H140 Ce4 S4 -","2","0.5","","Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Sigma bond metathesis with pentamethylcyclopentadienyl ligands in sterically crowded (C5Me5)3M complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6767","6773","10.1039/c002654a","","","0.71073","MoKα","","0.0218","0.0207","","","0.0571","0.0584","","","","","","1.046","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025672","10.3729","0.001","12.0187","0.0012","19.4835","0.0019","90","","90","","90","","2429","0.4","153","2","153","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C52 H70 La2 Se2 -","- C52 H70 La2 Se2 -","- C104 H140 La4 Se4 -","2","0.5","","Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Sigma bond metathesis with pentamethylcyclopentadienyl ligands in sterically crowded (C5Me5)3M complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6767","6773","10.1039/c002654a","","","0.71073","MoKα","","0.0221","0.0187","","","0.0445","0.0461","","","","","","1.057","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025673","10.3504","0.0006","11.7647","0.0007","19.4542","0.0012","90","","90","","90","","2368.9","0.2","148","2","148","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C52 H70 Pr2 S2 -","- C52 H70 Pr2 S2 -","- C104 H140 Pr4 S4 -","2","0.5","","Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Sigma bond metathesis with pentamethylcyclopentadienyl ligands in sterically crowded (C5Me5)3M complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6767","6773","10.1039/c002654a","","","0.71073","MoKα","","0.0434","0.0334","","","0.0859","0.093","","","","","","1.028","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7026936","26.487","0.005","28.262","0.006","14.916","0.003","90","","90","","90","","11166","4","120","2","120","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C79 H176 Al8 Mg4 O28 -","- C79 H176 Al8 Mg4 O28 -","- C316 H704 Al32 Mg16 O112 -","4","1","","Mohammadnezhad, Gholamhossein; Amini, Mostafa M.; Khavasi, Hamid Reza","A single source precursor for low temperature processing of nanocrystalline MgAl2O4 spinel: synthesis and characterization of [MgAl2(μ3-O)(μ2-O(i)Pr)4(O(i)Pr)2]4.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10830","10832","10.1039/c0dt00983k","","","0.71073","MoKα","","0.0881","0.0689","","","0.1741","0.1951","","","","","","1.047","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7028573","14.0472","0.0012","12.9062","0.0014","11.2407","0.0005","90","","90","","90","","2037.9","0.3","293.4","0.9","293.4","0.9","0","0","0","0","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.1209","0.0558","","","0.1194","0.153","","","","","","1.037","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028574","13.7147","0.0015","12.705","0.0006","10.8427","0.0017","90","","90","","90","","1889.3","0.4","293","0.9","293","0.9","740000","40000","740000","40000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.1185","0.0588","","","0.1059","0.1403","","","","","","1.057","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028575","13.502","0.002","12.5615","0.0013","10.381","0.004","90","","90","","90","","1760.7","0.7","292.4","0.6","292.4","0.6","2170000","50000","2170000","50000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.1315","0.0756","","","0.187","0.2406","","","","","","1.07","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028576","13.3971","0.0013","12.45","0.0006","10.192","0.002","90","","90","","90","","1700","0.4","292.57","0.1","292.57","0.1","3200000","100000","3200000","100000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.1355","0.071","","","0.1538","0.1983","","","","","","1.051","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028577","13.8547","0.0004","12.7941","0.0009","11.0243","0.0009","90","","90","","90","","1954.1","0.2","293","2","293","2","320000","30000","320000","30000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.0883","0.0479","","","0.0867","0.1017","","","","","","1.057","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028578","13.6906","0.0004","12.6908","0.0009","10.8131","0.0009","90","","90","","90","","1878.7","0.2","293","2","293","2","820000","40000","820000","40000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.0835","0.0488","","","0.092","0.105","","","","","","1.066","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028579","13.5953","0.0004","12.6243","0.001","10.6351","0.0011","90","","90","","90","","1825.3","0.2","292.1","0.5","292.1","0.5","1330000","30000","1330000","30000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.1292","0.0817","","","0.2159","0.2502","","","","","","1.241","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028580","13.4678","0.001","12.5281","0.0018","10.299","0.002","90","","90","","90","","1737.7","0.4","292","0.5","292","0.5","2530000","600000","2530000","600000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.1284","0.0598","","","0.1222","0.1574","","","","","","1.131","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7029331","11.4869","0.001","11.6934","0.0011","6.8962","0.0006","90","","90","","90","","926.3","0.14","173","2","173","2","","","","","","","","3","P n n 2","P 2 -2n","34","","1,2-bis(1,2-dicarba-closo-dodecaborane(11)-8-yl)ethyne","","- C6 H22 B20 -","- C6 H22 B20 -","- C12 H44 B40 -","2","0.5","","Safronov, Alexander V.; Sevryugina, Yulia V.; Pichaandi, Kothanda Rama; Jalisatgi, Satish S.; Hawthorne, M. Frederick","Synthesis of closo- and nido-biscarboranes with rigid unsaturated linkers as precursors to linear metallacarborane-based molecular rods.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4969","4977","10.1039/c3dt52596a","","","0.71073","MoKα","","0.076","0.0687","","","0.1714","0.1791","","","","","","1.189","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029457","20.086","0.002","21.185","0.002","10.5333","0.0012","90","","90","","90","","4482.1","0.8","298","2","298","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C42 H60 Mo10 N28 O51 P4 Zn2 -","- C42 H50 Mo10 N28 O51 P4 Zn2 -","- C84 H100 Mo20 N56 O102 P8 Zn4 -","2","0.5","","Li, Zi-Liang; Wang, Ying; Zhang, Lan-Cui; Wang, Jian-Ping; You, Wan-Sheng; Zhu, Zai-Ming","Three molybdophosphates based on Strandberg-type anions and Zn(ii)-H2biim/H2O subunits: syntheses, structures and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5840","5846","10.1039/c3dt53023j","","","0.71073","MoKα","","0.0432","0.0344","","","0.0733","0.0774","","","","","","1.036","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7032144","14.4864","0.0014","25.173","0.003","21.753","0.002","90","","90","","90","","7932.6","1.4","200","","200","","","","","","","","","6","P n n 2","P 2 -2n","34","","(NEt4)2[MoO2{S2C6H2[NHCOC(C6H4)-t-Bu)3]2}2]-5(CH3CN)","","- C166 H219 Mo N11 O6 S4 -","- C166 H219 Mo N11 O6 S4 -","- C332 H438 Mo2 N22 O12 S8 -","2","0.5","","Hasenaka, Yuki; Okamura, Taka-Aki; Tatsumi, Miki; Inazumi, Naoya; Onitsuka, Kiyotaka","Behavior of anionic molybdenum(iv, vi) and tungsten(iv, vi) complexes containing bulky hydrophobic dithiolate ligands and intramolecular NHS hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15491","15502","10.1039/c4dt01646g","","","0.71075","MoKα","","0.3065","0.2043","","","0.4703","0.5205","","","","","","1.463","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032147","14.503","0.002","25.17","0.005","21.806","0.004","90","","90","","90","","7960","2","200","","200","","","","","","","","","6","P n n 2","P 2 -2n","34","","(NEt4)2[WO2{S2C6H2[NHCOC(C6H4-t-Bu)3]2}2]-5(CH3CN)","","- C166 H219 N11 O6 S4 W -","- C166 H219 N11 O6 S4 W -","- C332 H438 N22 O12 S8 W2 -","2","0.5","","Hasenaka, Yuki; Okamura, Taka-Aki; Tatsumi, Miki; Inazumi, Naoya; Onitsuka, Kiyotaka","Behavior of anionic molybdenum(iv, vi) and tungsten(iv, vi) complexes containing bulky hydrophobic dithiolate ligands and intramolecular NHS hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15491","15502","10.1039/c4dt01646g","","","0.71075","MoKα","","0.1767","0.1164","","","0.3046","0.3496","","","","","","1.035","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7033570","29.8511","0.0018","27.674","0.002","7.773","0.0008","90","","90","","90","","6421.3","0.9","170","2","170","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C66 H66 F10 N8 O4 -","- C66 H66 F10 N8 O4 -","- C264 H264 F40 N32 O16 -","4","1","","Pankhurst, James R.; Cadenbach, Thomas; Betz, Daniel; Finn, Colin; Love, Jason B.","Towards dipyrrins: oxidation and metalation of acyclic and macrocyclic Schiff-base dipyrromethanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2066","2070","10.1039/c4dt03592e","","","0.71073","MoKα","","0.1351","0.076","","","0.2005","0.2458","","","","","","1.033","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7037716","47.9173","0.0014","13.8095","0.0006","25.5449","0.0008","90","","90","","90","","16903.4","1","100","2","100","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C208 H184 K2 Mn25 N12 O138 P20 -","- C208 H148 K2 Mn25 N12 O138 P20 -","- C416 H296 K4 Mn50 N24 O276 P40 -","2","0.5","","Chimamkpam, Theresa O.; Clérac, Rodolphe; Mitcov, Dmitri; Twamley, Brendan; Venkatesan, Munuswamy; Schmitt, Wolfgang","Structural variation in cation-assisted assembly of high-nuclearity Mn arsonate and phosphonate wheels.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1349","1353","10.1039/c5dt04820f","","","1.54178","CuKα","","0.1452","0.0804","","","0.2036","0.2427","","","","","","1","","","","has coordinates,has disorder","176036","2020-10-21","18:00:00",""
"7038913","17.574","0.004","14.57","0.003","16.836","0.004","90","","90","","90","","4310.9","1.7","100","2","100","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C76 H42 B2 F48 Mg N6 -","- C76 H42 B2 F48 Mg N6 -","- C152 H84 B4 F96 Mg2 N12 -","2","0.5","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71075","MoKα","","0.0805","0.0526","","","0.1306","0.1451","","","","","","1.014","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7040128","10.0003","0.0006","11.7787","0.0007","12.3391","0.0007","90","","90","","90","","1453.43","0.15","150","2","150","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C33 H31 Al Cl2 N2 -","- C33 H31 Al Cl2 N2 -","- C66 H62 Al2 Cl4 N4 -","2","0.5","","Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.","Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13787","13797","10.1039/c6dt02449a","","","0.71073","MoKα","","0.0414","0.0373","","","0.0877","0.089","","","","","","1.015","","","","has coordinates","186386","2020-10-21","18:00:00",""
"7042922","7.81306","0.0001","12.1722","0.00015","13.10384","0.00016","90","","90","","90","","1246.2","0.03","120","","120","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C24 H20 Cl2 Cr2 N4 O6 -","- C24 H20 Cl2 Cr2 N4 O6 -","- C48 H40 Cl4 Cr4 N8 O12 -","2","0.5","","Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan","Magneto-structural correlations in a family of dialkoxo bridged chromium dimers","Dalton Trans.","2017","","","","","10.1039/C7DT01197K","","x-ray","0.71073","MoKα","","0.0225","0.0215","","","0.0522","0.0528","","","","","","1.051","","","","has coordinates","196569","2020-10-21","18:00:00",""
"7042927","7.8068","0.0002","12.2423","0.0004","13.3916","0.0004","90","","90","","90","","1279.88","0.07","120","","120","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C24 H20 Br2 Cr2 N4 O6 -","- C24 H20 Br2 Cr2 N4 O6 -","- C48 H40 Br4 Cr4 N8 O12 -","2","0.5","","Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan","Magneto-structural correlations in a family of dialkoxo bridged chromium dimers","Dalton Trans.","2017","","","","","10.1039/C7DT01197K","","x-ray","0.71073","MoKα","","0.0344","0.0304","","","0.0549","0.057","","","","","","1.066","","","","has coordinates","196569","2020-10-21","18:00:00",""
"7045062","13.0347","0.0003","14.13","0.0003","11.229","0.0003","90","","90","","90","","2068.16","0.09","150","2","150","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co N12 Ru2 -","- C41 H34 Cl4 Co N12 Ru2 -","- C82 H68 Cl8 Co2 N24 Ru4 -","2","0.5","","Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","Stepwise synthesis of the heterotrimetallic chains [MRu<sub>2</sub>(dpa)<sub>4</sub>X<sub>2</sub>]<sup>0/1+</sup> using group 7 to group 12 transition metal ions and [Ru<sub>2</sub>(dpa)<sub>4</sub>Cl].","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1422","1434","10.1039/c7dt04114d","","","0.71073","MoKα","","0.0549","0.031","","","0.0586","0.0642","","","","","","0.962","","","","has coordinates,has disorder","229456","2020-10-21","18:00:00",""
"7046707","16.9207","0.0006","15.7742","0.0006","9.8061","0.0005","90","","90","","90","","2617.35","0.19","120","0.1","120.15","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C20 H26 Cl2 Fe N6 O8 -","- C20 H26 Cl2 Fe N6 O8 -","- C80 H104 Cl8 Fe4 N24 O32 -","4","1","","García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio","Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9156","9163","10.1039/c8dt01425f","","","0.71073","MoKα","","0.1439","0.0871","","","0.2189","0.2644","","","","","","1.039","","","","has coordinates,has disorder","229318","2020-10-21","18:00:00",""
"7047930","14.1966","0.0009","8.5378","0.0008","11.9968","0.0016","90","","90","","90","","1454.1","0.3","100","2","99.98","0.11","","","","","","","","5","P n n 2","P 2 -2n","34","","Ammonium tetrakis[4-(dihydroxyboryl)phenyl]borate","","- C24 H35 B5 N O12 -","- C24 H35 B5 N O12 -","- C48 H70 B10 N2 O24 -","2","0.5","","Tomaszewski, Patryk; Wiszniewski, Marcin; Serwatowski, Janusz; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Synthesis of tetraarylborates via tetralithio intermediates and the effect of polar functional groups and cations on their crystal structures.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16627","16637","10.1039/c8dt04068k","","x-ray","1.54184","CuKα","","0.0778","0.0684","","","0.1975","0.2076","","","","","","1.072","","","","has coordinates","229650","2020-10-21","18:00:00",""
"7052892","10.1986","0.0012","18.9137","0.0013","13.8337","0.0019","90","","90","","90","","2668.4","0.5","291","2","291","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C46 H38 Cl Cr Mn2 N14 O3 -","- C46 H38 Cl Cr Mn2 N14 O3 -","- C92 H76 Cl2 Cr2 Mn4 N28 O6 -","2","0.5","","Shen, Xiaoping; Zhang, Qian; Zhou, Hongbo; Zhou, Hu; Yuan, Aihua","Syntheses, crystal structures and magnetic properties of two low-dimensional cyano-bridged CrIII‒MnII/III assemblies","New Journal of Chemistry","2012","36","5","1180","","10.1039/c2nj20966g","","","0.71073","MoKα","","0.0739","0.057","","","0.1047","0.1078","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054918","19.4257","0.0011","21.2136","0.0011","12.9194","0.0006","90","","90","","90","","5323.9","0.5","150","2","150","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C19.32 H81.1 N4.83 O81.17 Se2 V11.46 W10.14 -","- C19.32 H57.96 N4.83 O81.17 Se2 V11.46 W10.14 -","- C38.64 H115.92 N9.66 O162.34 Se4 V22.92 W20.28 -","2","0.5","","Abramov, Pavel A.; Peresypkina, Eugenia V.; Izarova, Natalia V.; Vicent, Cristian; Zhdanov, Artem A.; Kompankov, Nikolay B.; Gutsul, Tatiana; Sokolov, Maxim N.","Polyoxoanions assembled by the condensation of vanadate, tungstate and selenite: solution studies and crystal structures of the mixed metal derivatives (NMe4)2Na2[WVI4VV2O19]·8H2O and (NMe4)4.83[(SeIVWVI4.57VV4.43O33)2(WVI(O)(H2O))(VVO)2.6]·10.57H2O","New J. Chem.","2016","40","2","937","","10.1039/C5NJ00858A","","","1.54178","CuKα","","0.0693","0.0499","","","0.1306","0.1464","","","","","","1.062","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7056202","10.396","0.002","11.229","0.002","5.8102","0.0013","90","","90","","90","","678.3","0.2","173","2","173","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C5 H6 N8 O13 -","- C5 H6 N8 O13 -","- C10 H12 N16 O26 -","2","0.5","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Yang, Hongwei","An interesting ring cleavage of 1,2,4-oxadiazole ring","New J. Chem.","2017","","","","","10.1039/C7NJ01119A","","","0.71073","MoKα","","0.0729","0.0449","","","0.0834","0.096","","","","","","1.01","","","","has coordinates","196785","2020-10-21","18:00:00",""
"7106010","10.126","0.0005","11.6705","0.0006","6.4209","0.0003","90","","90","","90","","758.79","0.06","250","2","250","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C8 H29 Al B2 N4 -","- C8 H29 Al B2 N4 -","- C16 H58 Al2 B4 N8 -","2","0.5","","Hugh J. Cowley Mark S. Holt Rebecca L. Melen Jeremy M. Rawson Dominic S. Wright","Catalytic dehydrocoupling of Me2NHBH3 with Al(NMe2)3","Chem.Commun.","2011","47","","2682","","10.1039/c0cc05294a","","","0.71073","MoKα","","0.0627","0.0574","","","0.1662","0.171","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7106049","25.433","0.001","31.146","0.002","20.939","0.001","90","","90","","90","","16586.5","1.5","291","2","291","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C132 H96 Cu7 I3 N12 S8 W2 -","- C132 H96 Cu7 I3 N12 S8 W2 -","- C528 H384 Cu28 I12 N48 S32 W8 -","4","1","","Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng","[WS4Cu3I2]- and [WS4Cu4]2+ Secondary Building Units Formed Metal-Organic Framework: Large Tubes in Highly Interpenetrated System","Chem.Commun.","2011","47","","2919","","10.1039/c0cc05015f","","","0.71073","MoKα","","0.0733","0.0575","","","0.1175","0.1214","","","","","","1.082","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7107454","14.3366","0.0007","36.0309","0.0018","7.073","0.0003","90","","90","","90","","3653.6","0.3","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C18.25 H15 N1.5 O4.5 Zn0.5 -","- C18.25 H15 N1.5 O4.5 Zn0.5 -","- C146 H120 N12 O36 Zn4 -","8","2","","Wenbin Lin; Liang Wen; Peng Cheng","Solvent-induced single-crystal to single-crystal transformation of a 2D coordination network to a 3D metal-organic framework greatly enhances porosity and hydrogen uptake","Chem.Commun.","2012","48","","2846","","10.1039/c2cc17298d","","","1.54178","CuKα","","0.0737","0.0588","","","0.154","0.1675","","","","","","0.784","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108268","13.361","0.007","13.789","0.007","14.017","0.007","90","","90","","90","","2582","2","200","2","200","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C4 H28 Co5 N5 O20 P5 -","- C4 H28 Co5 N5 O20 P5 -","- C16 H112 Co20 N20 O80 P20 -","4","1","","Bryan Yonemoto; Zhuo-jia Lin; Feng Jiao","A general synthetic method for MPO4 (M = Co, Fe, Mn) frameworks using deep-eutectic solvents","Chem.Commun.","2012","48","","9132","","10.1039/c2cc34020h","","","0.71073","MoKα","","0.0807","0.0693","","","0.1673","0.1748","","","","","","1.053","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7109097","14.5209","0.0003","17.2203","0.0003","27.214","0.0005","90","","90","","90","","6805","0.2","100","2","100","2","","","","","","","synthesis as described","8","P n n 2","P 2 -2n","34","","","","- C96 H164 Cr7 F8 N Ni O32 S2 -","- C96 H164 Cr7.02 F8 N Ni1.04 O32 S2 -","- C192 H328 Cr14.04 F16 N2 Ni2.08 O64 S4 -","2","0.5","","Harapriya Rath; Grigore A. Timco; Valdis Corradini; Alberto Ghirri; Umberto del Pennino; Antonio Fernandez; Robin G. Pritchard; Christopher A. Muryn; Marco Affronte; Richard E. P. Winpenny","Studies of hybrid organic-inorganic [2] and [3]rotaxanes bound to Au surfaces","Chem.Commun.","2013","49","","3404","","10.1039/c3cc38699f","","x-ray","0.71073","MoKα","","0.1145","0.0854","","","0.2196","0.2389","","","","","","1.147","","","","has coordinates,has disorder","180194","2020-10-21","18:00:00",""
"7109433","17.6379","0.0005","9.6123","0.0005","9.8809","0.0009","90","","90","","90","","1675.22","0.18","100","2","100","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Cu2 I2 N4 -","- C11 H16 Cu2 I2 N4 -","- C44 H64 Cu8 I8 N16 -","4","1","","Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun","Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift","Chem.Commun.","2013","49","","6152","","10.1039/c3cc42741b","","","0.71073","MoKα","","0.0177","0.0177","","","0.0441","0.0441","","","","","","1.181","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109434","17.685","0.001","9.6255","0.0005","9.8942","0.0006","90","","90","","90","","1684.26","0.16","160","2","160","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Cu2 I2 N4 -","- C11 H16 Cu2 I2 N4 -","- C44 H64 Cu8 I8 N16 -","4","1","","Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun","Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift","Chem.Commun.","2013","49","","6152","","10.1039/c3cc42741b","","","0.71073","MoKα","","0.0188","0.0186","","","0.0473","0.0473","","","","","","1.137","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109435","17.7336","0.0011","9.647","0.0006","9.9065","0.0006","90","","90","","90","","1694.76","0.18","220","2","220","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Cu2 I2 N4 -","- C11 H16 Cu2 I2 N4 -","- C44 H64 Cu8 I8 N16 -","4","1","","Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun","Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift","Chem.Commun.","2013","49","","6152","","10.1039/c3cc42741b","","","0.71073","MoKα","","0.0199","0.0196","","","0.0513","0.0515","","","","","","1.124","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109436","17.9821","0.0013","9.7493","0.0007","10.0256","0.0007","90","","90","","90","","1757.6","0.2","298","2","298","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Cu2 I2 N4 -","- C11 H16 Cu2 I2 N4 -","- C44 H64 Cu8 I8 N16 -","4","1","","Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun","Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift","Chem.Commun.","2013","49","","6152","","10.1039/c3cc42741b","","","0.71073","MoKα","","0.0219","0.0215","","","0.0574","0.0577","","","","","","1.106","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7112162","14.974","0.0015","19.497","0.002","7.6466","0.0008","90","","90","","90","","2232.4","0.4","123","","123","","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Keiji Mori; Kazuki Kurihara; Takahiko Akiyama","Expeditious synthesis of 1-aminoindane derivatives achieved by [1,4]-hydride shift mediated C(sp3)-H bond functionalization","Chem.Commun.","2014","50","","3729","","10.1039/c4cc00894d","","","0.71073","MoKα","","0.0422","0.0357","","","0.0796","0.0828","","","","","","1.035","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112408","12.373","0.002","23.135","0.004","9.6348","0.0018","90","","90","","90","","2758","0.8","110","2","110","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C29 H38 Fe N6 O2 -","- C29 H38 Fe N6 O2 -","- C116 H152 Fe4 N24 O8 -","4","1","","Hsieh, Chung-Hung; Pulukkody, Randara; Darensbourg, Marcetta Y.","A dinitrosyl iron complex as a platform for metal-bound imidazole to N-heterocyclic carbene conversion.","Chemical communications (Cambridge, England)","2013","49","81","9326","9328","10.1039/c3cc45091k","","","0.71073","MoKα","","0.0285","0.0275","","","0.0775","0.0783","","","","","","1.1","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7114161","15.284","0.003","17.726","0.003","5.1882","0.001","90","","90","","90","","1405.6","0.5","293","2","293","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C H4 N0.5 O14 P3 Zn4 -","- C H4 N0.5 O14 P3 Zn4 -","- C4 H16 N2 O56 P12 Zn16 -","4","1","","Neeraj, S.; Cheetham, A. K.","Synthesis of open-framework zinc phosphates from organophosphorus amides","Chemical Communications","2002","","16","1738","","10.1039/b205557k","","","0.71073","MoKα","","0.0868","0.0717","","","0.1723","0.1813","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116761","15.9089","0.0011","26.7369","0.0019","10.561","0.0008","90","","90","","90","","4492.2","0.6","200","2","200","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C34.93 H66.85 B11 Li2 N2 O5.48 -","- C34.928 H66.856 B11 Li2 N2 O5.482 -","- C139.712 H267.424 B44 Li8 N8 O21.928 -","4","1","","Matthew J. Asay; Steven P. Fisher; Sarah E. Lee; Fook S. Tham; Dan Borchardt; Vincent Lavallo","Synthesis of unsymmetrical N-carboranyl NHCs: directing effect of the carborane anion","Chem.Commun.","2015","51","","5359","","10.1039/C4cc08267B","","","0.71073","MoKα","","0.0637","0.0551","","","0.152","0.1624","","","","","","1.054","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7128192","23.0817","0.0005","23.3506","0.0005","10.0089","0.0002","90","","90","","90","","5394.5","0.2","150","2","150","2","","","","","","","","5","P n n 2","P 2 -2n","34","","(H2TMEDA)3Fe2(N,N'-bis(3-carboxylate-2-hydroxyphenyl)terephthalamide )3.DMF","","- C84 H86 Fe2 N12 O26 -","- C84 H86 Fe2 N12 O26 -","- C168 H172 Fe4 N24 O52 -","2","0.5","","Do, Jean-Louis; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","A new class of anionic metallohelicates based on salicylic and terephthalic acid units, accessible in solution and by mechanochemistry.","Chemical communications (Cambridge, England)","2021","57","42","5143","5146","10.1039/d0cc08180a","","","1.54178","CuKα","","0.0797","0.0526","","","0.1399","0.1593","","","","","","1.012","","","","has coordinates","265864","2021-06-05","17:25:25",""
"7128891","38.1631","0.0019","9.9045","0.0006","8.5781","0.0005","90","","90","","90","","3242.4","0.3","293","2","293","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C31 H38 F6 N2 P Sb -","- C31 H38 F6 N2 P Sb -","- C124 H152 F24 N8 P4 Sb4 -","4","1","","Dhara, Debabrata; Pal, Pradeep Kumar; Dolai, Ramapada; Chrysochos, Nicolas; Rawat, Hemant; Elvers, Benedict J.; Krummenacher, Ivo; Braunschweig, Holger; Schulzke, Carola; Chandrasekhar, Vadapalli; Priyakumar, U. Deva; Jana, Anukul","Synthesis and reactivity of NHC-coordinated phosphinidene oxide.","Chemical communications (Cambridge, England)","2021","57","75","9546","9549","10.1039/d1cc04421d","","","0.71073","MoKα","","0.094","0.0624","","","0.1564","0.1737","","","","","","1.014","","","","has coordinates,has disorder","269637","2021-10-06","13:55:39",""
"7129437","24.442","0.002","29.447","0.003","12.7021","0.001","90","","90","","90","","9142.3","1.4","100","","100","","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C120 H264 O44 Sm8 U4 -","- C120 H264 O44 Sm8 U4 -","- C240 H528 O88 Sm16 U8 -","2","0.5","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0663","0.0426","","","0.0871","0.0967","","","","","","1.027","","","","has coordinates","271561","2021-12-21","22:56:06",""
"7204999","12.6113","0.0017","16.164","0.002","5.8952","0.0018","90","","90","","90","","1201.7","0.4","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","1,1-bis(1',1',3',3'-tetramethylisoindolin-2'-yloxyl-5'-yl)ethane","","- C26 H34 N2 O2 -","- C26 H32 N2 O2 -","- C52 H64 N4 O4 -","2","0.5","","Smith, Craig D.; Bott, Raymond C.; Bottle, Steven E.; Micallef, Aaron S.; Smith, Graham","New isoindoline aminoxyl based polyradicals for spin probes and molecular magnetic materials","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","533","","10.1039/b109485h","","","0.71069","MoKα","","0.0771","0.0574","","","0.1723","0.1824","","","","","","1.425","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7208644","14.0268","0.0008","17.7897","0.001","5.0012","0.0003","90","","90","","90","","1247.96","0.12","173","2","173","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C30 H32 N4 O14 -","- C28 H20 N4 O13 -","- C56 H40 N8 O26 -","2","0.5","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0574","0.0567","","","0.1639","0.1649","","","","","","1.132","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208645","17.7028","0.0017","13.9075","0.0014","5.009","0.0005","90","","90","","90","","1233.2","0.2","173","2","173","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C22 H14 N4 O9 -","- C22 H14 N4 O9 -","- C44 H28 N8 O18 -","2","0.5","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0484","0.0469","","","0.1459","0.1477","","","","","","1.109","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208655","18.662","0.004","20.461","0.004","9.4272","0.0019","90","","90","","90","","3599.7","1.3","295","2","295","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C38 H32 N6 O10 Zn3 -","- C38 H32 N6 O10 Zn3 -","- C152 H128 N24 O40 Zn12 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0781","0.049","","","0.1009","0.1173","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211033","13.0268","0.0004","23.255","0.0006","10.1923","0.0003","90","","90","","90","","3087.64","0.15","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C69 H50 In2 N4 O14 -","- C69 H50 In2 N4 O14 -","- C138 H100 In4 N8 O28 -","2","0.5","","Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M. Ángeles","Indium metal‒organic frameworks as catalysts in solvent-free cyanosilylation reaction","CrystEngComm","2013","15","45","9562","","10.1039/c3ce41123k","","","1.54178","CuKα","","0.0978","0.0587","","","0.1544","0.1814","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211034","12.4606","0.0003","23.6079","0.0007","10.0948","0.0003","90","","90","","90","","2969.57","0.14","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C65 H50 In2 N4 O14 -","- C65 H50 In2 N4 O14 -","- C130 H100 In4 N8 O28 -","2","0.5","","Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M. Ángeles","Indium metal‒organic frameworks as catalysts in solvent-free cyanosilylation reaction","CrystEngComm","2013","15","45","9562","","10.1039/c3ce41123k","","","1.54178","CuKα","","0.1326","0.0717","","","0.2095","0.2542","","","","","","1.038","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211288","4.7127","0.0018","5.203","0.002","3.2439","0.0013","90","","90","","90","","79.54","0.05","293","","293","","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- F1.159 H0.841 Mn O0.841 -","- F1.16 H0.84 Mn O0.84 -","- F2.32 H1.68 Mn2 O1.68 -","2","0.5","","Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori; Avdeev, Maxim; Liu, Samuel; Ling, Chris D.","Synthesis and characterization of the crystal structure and magnetic properties of the hydroxyfluoride MnF(2-x)(OH)x (x ~ 0.8).","Physical chemistry chemical physics : PCCP","2013","15","31","13061","13069","10.1039/c3cp50740h","","","0.71073","MoKα","","0.0385","0.0385","","","0.0812","0.0812","","","","1.15","1.15","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218614","9.568","0.003","17.673","0.006","9.56","0.003","90","","90","","90","","1616.6","0.9","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C22 H32 Br4 Cu4 N8 -","- C22 H32 Br4 Cu4 N8 -","- C44 H64 Br8 Cu8 N16 -","2","0.5","","Xue, Li-Ping; Chang, xinhong; Ma, Lufang; Wang, Liya","Four d10 metal coordination polymers based on bis(2-methyl imidazole) spacers: syntheses, interpenetrating structures and photoluminescence properties","RSC Adv.","2014","","","","","10.1039/C4RA10331A","","","0.71073","MoKα","","0.0335","0.0265","","","0.0513","0.0534","","","","","","1.014","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7219028","7.84","0.003","10.813","0.005","11.426","0.005","90","","90","","90","","968.6","0.7","173","","173","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C12 H24 F6 K O6 P -","- C12 H24 F6 K O6 P -","- C24 H48 F12 K2 O12 P2 -","2","0.5","","Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.","Physical chemistry chemical physics : PCCP","2015","17","4","2838","2849","10.1039/c4cp05017g","","","0.71075","MoKα","","","0.054","","","","0.1643","","","","","","1.06","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7221176","10.804","","10.84","","6.613","","90","","90","","90","","774.484","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Ba Hg Sn S4","","- Ba Hg S4 Sn -","- Ba Hg S4 Sn -","- Ba4 Hg4 S16 Sn4 -","4","1","","Teske, C.L.","Darstellung und Kristallstruktur von Barium-Quecksilber-Thiostannat(IV), Ba Hg Sn S4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","7","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223437","20.775","0.003","27.566","0.003","10.846","0.0013","90","","90","","90","","6211.3","1.3","150","2","150","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C45 H54.75 O33.5 Zn6 -","- C45 H30 O33.433 Zn6 -","- C180 H120 O133.732 Zn24 -","4","1","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0618","0.0533","","","0.1378","0.1432","","","","","","1.042","","","","has coordinates,has disorder","181596","2020-10-21","18:00:00",""
"7242083","13.8693","0.001","50.702","0.004","8.3094","0.0006","90","","90","","90","","5843.2","0.8","302","2","302","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C64 H44 N10 O13 Zn2 -","- C64 H44 N10 O13 Zn2 -","- C256 H176 N40 O52 Zn8 -","4","1","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.1098","0.0757","","","0.1513","0.1592","","","","","","1.269","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7245789","8.0559","0.0003","21.6299","0.0006","7.2362","0.0002","90","","90","","90","","1260.9","0.07","150","0.1","150","0.1","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C44 H58 N12 O16 S4 -","- C44 H58 N12 O16 S4 -","- C44 H58 N12 O16 S4 -","1","0.25","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54178","CuKα","","0.0779","0.0718","","","0.2083","0.2208","","","","","","1.137","","","","has coordinates,has disorder","279218","2022-11-10","23:42:42",""
"7700229","10.0095","0.0003","12.3649","0.0004","12.5793","0.0004","90","","90","","90","","1556.9","0.08","173","2","173","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C32 H44 B2 O2 Te -","- C32 H44 B2 O2 Te -","- C64 H88 B4 O4 Te2 -","2","0.5","","Braun, Christina A.; Martinek, Nicole; Zhou, Yuqiao; Ferguson, Michael J.; Rivard, Eric","Using boryl-substitution and improved Suzuki-Miyaura cross-coupling to access new phosphorescent tellurophenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10210","10219","10.1039/c9dt02095k","","","1.54178","CuKα","","0.0165","0.0158","","","0.039","0.0399","","","","","","1.081","","","","has coordinates","223867","2020-10-21","18:00:00",""
"7702452","12.829","0.001","13.935","0.002","11.158","0.001","90","","90","","90","","1994.7","0.4","111","2","111","2","","","","","","","synthesis","6","P n n 2","P 2 -2n","34","","","","- C41 H34 Br2 Cl2 Co3 N12 -","- C41 H34 Br2 Cl2 Co3 N12 -","- C82 H68 Br4 Cl4 Co6 N24 -","2","0.5","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.0624","0.0591","","0.1799","0.177","","","","1.06","1.073","1.073","","","","","has coordinates","243871","2020-10-21","18:00:00",""
"7702453","12.849","0.002","13.956","0.002","11.175","0.002","90","","90","","90","","2003.9","0.6","147","2","147","2","","","","","","","synthesis","6","P n n 2","P 2 -2n","34","","","","- C41 H34 Br2 Cl2 Co3 N12 -","- C41 H34 Br2 Cl2 Co3 N12 -","- C82 H68 Br4 Cl4 Co6 N24 -","2","0.5","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.0679","0.0597","","0.1746","0.1659","","","","1.181","1.19","1.19","","","","","has coordinates","243871","2020-10-21","18:00:00",""
"7702454","12.953","0.001","14.055","0.001","11.264","0.001","90","","90","","90","","2050.7","0.3","240","2","240","2","","","","","","","synthesis","6","P n n 2","P 2 -2n","34","","","","- C41 H34 Br2 Cl2 Co3 N12 -","- C41 H34 Br2 Cl2 Co3 N12 -","- C82 H68 Br4 Cl4 Co6 N24 -","2","0.5","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.0556","0.0474","","0.1436","0.137","","","","1.075","1.101","1.101","","","","","has coordinates","243871","2020-10-21","18:00:00",""
"7704761","23.6571","0.0002","25.847","0.0004","13.2128","0.0006","90","","90","","90","","8079.2","0.4","120","2","120","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C74 H145 Fe2 Li O7 P5 -","- C66 H125 Fe2 Li0.5 O3 P5 -","- C264 H500 Fe8 Li2 O12 P20 -","4","1","","Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał","Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10091","10103","10.1039/d0dt01503b","","x-ray","0.71073","MoKα","","0.0814","0.058","","","0.1421","0.1547","","","","","","1.053","","","","has coordinates,has disorder","254955","2020-10-21","18:00:00",""
"8100803","11.6358","0.0009","11.583","0.001","6.6823","0.0007","90","","90","","90","","900.6","0.2","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","dibarium pentaborate chloride","dibarium pentaborate chloride","","- B5 Ba2 Cl O9 -","- B5 Ba2 Cl O9 -","- B20 Ba8 Cl4 O36 -","4","1","","Held, Peter; Liebertz, Josef; Bohatý, Ladislav","Crystal structure of dibarium pentaborate chloride, Ba~2~B~5~O~9~Cl","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","463","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102042","6.2054","0.0008","28.788","0.004","5.0063","0.0006","90","","90","","90","","894.3","0.2","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","","4,4'-dibromo-2,2'-[(1,3-propylidene)dioxybis(nitrilomethylidyne)]diphenol","","- C17 H16 Br2 N2 O4 -","- C17 H16 Br2 N2 O4 -","- C34 H32 Br4 N4 O8 -","2","0.5","","Dong, W.-K.; Feng, J.-H.; Yang, X.-Q.","Crystal structure of 4,4'-dibromo-2,2'-((1,3-propylene)-dioxybis (nitrilomethylidyne))diphenol, C~16~H~16~Br~2~N~2~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","447","448","","","","0.71073","MoKα","","0.0436","0.0326","","","0.0638","0.068","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"9004923","30.02","","7.0084","","7.0492","","90","","90","","90","","1483.1","","","","","","","","","","","","Venachat, Haute-Vienne, France","4","P n n 2","P 2 -2n","34","","","Uranospathite","- Al0.86 O33 P2 U2 -","- Al0.86 O33 P2 U2 -","- Al1.72 O66 P4 U4 -","2","0.5","","Locock, A. J.; Kinman, W. S.; Burns, P. C.","The structure and composition of uranospathite, Al1-xVacancyx[(UO2)(PO4)]2(H2O)20+3xF1-3x, x = 0 - 0.33, a non-centrosymmetric flourine-bearing mineral of the autunite group, and of a related synthetic lower hydrate, Al0.67Vacancy0.33[(UO2)(PO4)]2(H2O)15.5","The Canadian Mineralogist","2005","43","","989","1003","10.2113/gscanmin.43.3.989","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007274","4.6975","","4.206","","2.8327","","90","","90","","90","","55.968","","","","","","","","","","","","","5","P n n 2","P 2 -2n","34","","","delta-AlOOH","- Al0.84 H Mg0.07 O2 Si0.09 -","- Al0.84 H Mg0.07 O2 Si0.09 -","- Al1.68 H2 Mg0.14 O4 Si0.18 -","2","0.5","","Kudoh, Y.; Kuribayashi, T.; Suzuki, A.; Ohtani, E.; Kamada, T.","Space group and hydrogen sites of delta-AlOOH and implications for a hypothetical high-pressure form of Mg(OH)2","Physics and Chemistry of Minerals","2004","31","","360","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007379","14.024","","5.109","","8.733","","90","","90","","90","","625.707","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","Superhydrous Phase B","","Superhydrous Phase B","- H4 Mg10 O18 Si3 -","- H4 Mg10 O18 Si3 -","- H8 Mg20 O36 Si6 -","2","0.5","","Koch-Muller M; Dera, P.; Fei, Y.; Hellwig, H.; Liu, Z.; Van Orman, J.; Wirth, R.","Polymorphic phase transition in Superhydrous Phase B Sample: MKM0105 Note: z(O6) corrected by authors","Physics and Chemistry of Minerals","2005","32","","349","361","10.1007/s00269-005-0007-4","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9010488","14.202","","5.1676","","8.8756","","90","","90","","90","","651.383","","","","","","","","","","","","Synthetic","4","P n n 2","P 2 -2n","34","","","","- Ge3 H4 Mg10 O18 -","- Ge3 H4 Mg10 O18 -","- Ge6 H8 Mg20 O36 -","2","0.5","","Thomas, S. M.; Muller, M. K.; Kahlenberg, V.; Thomas, R.; Rhede, D.; Wirth, R.; Wunder, B.","Protonation in germanium equivalents of ringwoodite, anhydrous phase B, and superhydrous phase B Note: superhydrous phase B Ge-ringwoodite Note: published bond lengths could not be reproduced","American Mineralogist","2008","93","","1282","1294","10.2138/am.2008.2739","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9012540","5.8328","","6.5376","","3.1973","","90","","90","","90","","121.921","","","","","","","","","","","","Synthetic","2","P n n 2","P 2 -2n","34","","","Seinajokite","- Fe Sb2 -","- Fe Sb2 -","- Fe2 Sb4 -","2","0.5","","Holseth, H.; Kjekshus, A.","Compounds with the marcasite type crystal structure IV. The crystal structure of FeSb2 Note: Powder X-ray diffractometer with strip charts","Acta Chemica Scandinavica","1969","23","","3043","3050","10.3891/acta.chem.scand.23-3043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012542","5.8328","","6.5376","","3.1973","","90","","90","","90","","121.921","","","","","","","","","","","","Synthetic","2","P n n 2","P 2 -2n","34","","","Seinajokite","- Fe Sb2 -","- Fe Sb2 -","- Fe2 Sb4 -","2","0.5","","Holseth, H.; Kjekshus, A.","Compounds with the marcasite type crystal structure IV. The crystal structure of FeSb2 Note: Powder X-ray counted by step-scanning","Acta Chemica Scandinavica","1969","23","","3043","3050","10.3891/acta.chem.scand.23-3043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012545","5.8328","","6.5376","","3.1973","","90","","90","","90","","121.921","","","","","","","","","","","","Synthetic","2","P n n 2","P 2 -2n","34","","","Seinajokite","- Fe Sb2 -","- Fe Sb2 -","- Fe2 Sb4 -","2","0.5","","Holseth, H.; Kjekshus, A.","Compounds with the marcasite type crystal structure IV. The crystal structure of FeSb2 Note: Single crystal X-ray from integrated Weissenberg film","Acta Chemica Scandinavica","1969","23","","3043","3050","10.3891/acta.chem.scand.23-3043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9015703","11.376","","11.505","","6.5568","","90","","90","","90","","858.16","","","","","","","","","","","","Mina Asuncion, Atacama Desert, Chile","5","P n n 2","P 2 -2n","34","","","Leucostaurite","- B10 Cl2 H2 O19 Pb4 -","- B10 Cl2 H2 O19 Pb4 -","- B20 Cl4 H4 O38 Pb8 -","2","0.5","","Brugger, J.; Meisser, N.; Ansermat, S.; Krivovichev, S. V.; Kahlenberg, V.; Belton, D.; Ryan, C. G.","Leucostaurite, Pb2[B5O9]Cl*0.5H2O, from the Atacama Desert: The first Pb-dominant member of the hilgardite group, and micro-determination of boron minerals by PIGE","American Mineralogist","2012","97","","1206","1212","10.2138/am.2012.4082","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9017584","15.8514","","16.2478","","6.8943","","90","","90","","90","","1775.63","","","","","","","","","","","","Jeronym mine, Abertamy, Czech Republic","7","P n n 2","P 2 -2n","34","","","Deliensite","- Fe0.58 H16 Mg0.27 O21 S2 U2 Zn0.16 -","- Fe0.58 H16 Mg0.27 O21 S2 U2 Zn0.16 -","- Fe2.32 H64 Mg1.08 O84 S8 U8 Zn0.64 -","4","1","","Plasil, J.; Hauser, J.; Petricek, V.; Meisser, N.; Mills, S. J.; Skoda, R.; Fejfarova, K.; Cejka, J.; Sejkora, J.; Hlousek, J.; Johannet, J. M.; Machovic, V.; Lapcak, L.","Crystal structure and formula revision of deliensite, Fe[(UO2)2(SO4)2(OH)2](H2O)7","Mineralogical Magazine","2012","76","","2837","2860","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""