# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T09:21:34+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I -4 2 d' 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
"1001806","9.953","0.002","9.953","0.002","26.41299","0.004","90","","90","","90","","2616.5","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Caesium hexamolybdenum decaoxide dimolybdate tetrakis(phosphate(V))","","- Cs Mo8 O33 P4 -","- Cs Mo8 O33 P4 -","- Cs4 Mo32 O132 P16 -","4","0.25","","Hoareau, T; Leclaire, A; Borel, M M; Provost, J; Raveau, B","A mixed valent molybdenum monophosphate with an original cage structure Cs Mo6 O10 (Mo2 O7) (P O4)4","Journal of Solid State Chemistry","1997","128","","233","240","10.1006/jssc.1996.7195","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010458","7.43","","7.43","","6.97","","90","","90","","90","","384.8","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Potassium dihydrogenphosphate","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","West, J","A quantitative X-ray Analysis of the Structure of Potassium Dihydrogen Phosphate (K H~2~ P O~4~)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","306","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1010576","7.42","","7.42","","6.97","","90","","90","","90","","383.7","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Potassium dihydrogenphosphate","","- H2 K O4 P -","- H0.5 K O P -","- H2 K4 O4 P4 -","4","0.25","","Hassel, O.","Über die Kristallstruktur des primären Kaliumphosphats KH~2~PO~4~ und isomorpher Salze","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1925","31","10","523","529","10.1002/bbpc.19250311006","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1010940","5.24","","5.24","","10.3","","90","","90","","90","","282.8","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Copper iron sulfide","Chalcopyrite","- Cu Fe S2 -","- Cu Fe S2 -","- Cu4 Fe4 S8 -","4","0.25","","Pauling, L; Brockway, L O","The Crystal Structure of Chalkopyrite Cu Fe S2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","82","","188","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100774","14.243","0.0018","14.243","0.0018","28.419","0.005","90","","90","","90","","5765.2","1.4","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C14 H10 N8 Zn -","- C14 H10 N8 Zn -","- C224 H160 N128 Zn16 -","16","1","","Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue","A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis","Inorganic Chemistry","2005","44","","3618","3625","10.1021/ic0500098","","","0.71073","MoKα","","0.045","0.0317","","","0.0894","0.0929","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100775","10.485","0.0016","10.485","0.0016","13.088","0.003","90","","90","","90","","1438.8","0.5","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H10 Cl0 N12 Zn -","- C12 H10 N12 Zn -","- C48 H40 N48 Zn4 -","4","0.25","","Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue","A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis","Inorganic Chemistry","2005","44","","3618","3625","10.1021/ic0500098","","","0.71073","MoKα","","0.0502","0.0449","","","0.1179","0.1196","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505794","23.367","0.002","23.367","0.002","14.368","0.002","90","","90","","90","","7845.2","1.4","233.2","","233.2","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C34 H48 Cl2 N2 O2 Zr -","- C34 H48 Cl2 N2 O2 Zr -","- C272 H384 Cl16 N16 O16 Zr8 -","8","0.5","","Terao, Hiroshi; Ishii, Sei-ichi; Saito, Junji; Matsuura, Sadahiko; Mitani, Makoto; Nagai, Naoshi; Tanaka, Hidetsugu; Fujita, Terunori","Phenoxycycloalkylimine Ligated Zirconium Complexes for Ethylene Polymerization: Formation of Vinyl-Terminated Low Molecular Weight Polyethylenes with High Efficiency","Macromolecules","2006","39","25","8584","","10.1021/ma062214s","","","0.7107","MoKα","","0.0726","0.0726","","","0.1214","0.1214","","","","","","1.167","","","","has coordinates","134271","2020-10-21","18:00:00",""
"1508491","7.3259","0.0001","7.3259","0.0001","67.5487","0.0012","90","","90","","90","","3625.26","0.1","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H10 Au0.94 Cl1.88 N2 S6 -","- C12 H10 Au0.94 Cl1.88 N2 S6 -","- C96 H80 Au7.52 Cl15.04 N16 S48 -","8","0.5","","Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C.","Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9)","Crystals","2012","2","3","1283","1290","10.3390/cryst2031283","","","0.71073","MoKα","","0.0501","0.0441","","","0.1031","0.1075","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508492","7.3066","0.0001","7.3066","0.0001","67.3719","0.0012","90","","90","","90","","3596.74","0.09","260","2","260","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H10 Au0.94 Cl1.88 N2 S6 -","- C12 H10 Au0.951 Cl1.902 N2 S6 -","- C96 H80 Au7.608 Cl15.216 N16 S48 -","8","0.5","","Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C.","Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9)","Crystals","2012","2","3","1283","1290","10.3390/cryst2031283","","","1.54178","CuKα","","0.049","0.0455","","","0.109","0.111","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509031","6.36709","","6.36709","","12.60214","","90","","90","","90","","510.889","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Copper(I) silver indium telluride (0.3/0.74/1.01/1.96)","","- Ag0.736 Cu0.297 In1.011 Te1.956 -","- Ag0.736 Cu0.297 In1.011 Te1.956 -","- Ag2.944 Cu1.188 In4.044 Te7.824 -","4","0.25","","Sakr, G.B.; El-Sayad, E.A.; Moustafa, A.M.","Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method","Crystal Research and Technology","2004","39","","266","273","10.1002/crat.200310181","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509083","6.24068","","6.24068","","12.50461","","90","","90","","90","","487.006","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Copper(I) silver indium telluride (0.77/0.26/1.01/1.97)","","- Ag0.257 Cu0.766 In1.008 Te1.969 -","- Ag0.257 Cu0.766 In1.008 Te1.969 -","- Ag1.028 Cu3.064 In4.032 Te7.876 -","4","0.25","","Sakr, G.B.; Moustafa, A.M.; El-Sayad, E.A.","Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method","Crystal Research and Technology","2004","39","","266","273","10.1002/crat.200310181","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509123","6.30663","","6.30663","","12.56589","","90","","90","","90","","499.79","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Copper(I) silver indium telluride (0.52/0.5/1.02/1.97)","","- Ag0.496 Cu0.515 In1.023 Te1.966 -","- Ag0.496 Cu0.515 In1.023 Te1.966 -","- Ag1.984 Cu2.06 In4.092 Te7.864 -","4","0.25","","El-Sayad, E.A.; Sakr, G.B.; Moustafa, A.M.","Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method","Crystal Research and Technology","2004","39","","266","273","10.1002/crat.200310181","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509130","6.271","","6.271","","12.5024","","90","","90","","90","","491.662","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Silver copper indium telluride (0.5/1.5/2/4)","","- Ag0.5 Cu1.5 In2 Te4 -","- Ag0.5 Cu1.5 In2 Te4 -","- Ag Cu3 In4 Te8 -","2","0.125","","Krishna Rao, D.; Kasiviswanathan, S.; Gopalam, B.S.V.","Preparation and characterization of the pseudobinary system Cu1-x Agx In Te2","Journal of Materials Science","1986","5","","912","914","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509153","5.695","","5.695","","10.26","","90","","90","","90","","332.763","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag Al S2 -","- Ag Al S2 -","- Ag4 Al4 S8 -","4","0.25","","Stoerger, G.; Frank, G.; Klingler, W.; Meyer, A.D.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","10.1002/zaac.19532710307","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509160","5.956","","5.956","","10.75","","90","","90","","90","","381.345","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag Al Se2 -","- Ag Al Se2 -","- Ag4 Al4 Se8 -","4","0.25","","Frank, G.; Meyer, A.D.; Hahn, H.; Klingler, W.; Stoerger, G.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","10.1002/zaac.19532710307","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509169","6.296","","6.296","","11.83","","90","","90","","90","","468.937","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag Al Te2 -","- Ag Al Te2 -","- Ag4 Al4 Te8 -","4","0.25","","Meyer, A.D.; Frank, G.; Hahn, H.; Klingler, W.; Stoerger, G.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","10.1002/zaac.19532710307","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509337","5.66","","5.66","","10.3","","90","","90","","90","","329.967","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag Fe S2 -","- Ag Fe S2 -","- Ag4 Fe4 S8 -","4","0.25","","Zhuze, V.P.; Sergeeva, V.M.; Shtrum, E.L.","New semiconductor compounds","Zhurnal Tekhnicheskoi Fiziki","1958","28","","233","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509340","6.0138","","6.0138","","11.1238","","90","","90","","90","","402.301","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Ag (Ga0.665 In0.335) Se2","","- Ag Ga0.665 In0.335 Se2 -","- Ag Ga0.67 In0.33 Se2 -","- Ag4 Ga2.68 In1.32 Se8 -","4","0.25","","Marenkin, S.F.; Rybakov, V.B.; Kuz'micheva, G.M.; Shcherbakov, S.I.; Shevyrdyaeva, G.S.; Chizhikov, V.I.; Panyutin, V.L.","Preparation and structure of Ag Ga1-x Inx Se2 single crystals","Neorganicheskie Materialy","2003","39","","1193","1199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509341","5.9889","","5.9889","","11.0328","","90","","90","","90","","395.713","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Ag (Ga0.82 In0.18) Se2","","- Ag Ga0.82 In0.18 Se2 -","- Ag Ga0.82 In0.18 Se2 -","- Ag4 Ga3.28 In0.72 Se8 -","4","0.25","","Kuz'micheva, G.M.; Panyutin, V.L.; Marenkin, S.F.; Rybakov, V.B.; Shevyrdyaeva, G.S.; Shcherbakov, S.I.; Chizhikov, V.I.","Preparation and structure of Ag Ga1-x Inx Se2 single crystals","Neorganicheskie Materialy","2003","39","","1193","1199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509348","5.743","","5.743","","10.26","","90","","90","","90","","338.396","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag Ga S2 -","- Ag Ga S2 -","- Ag4 Ga4 S8 -","4","0.25","","Meyer, A.D.; Klingler, W.; Stoerger, G.; Hahn, H.; Frank, G.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","10.1002/zaac.19532710307","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509351","5.973","","5.973","","10.88","","90","","90","","90","","388.163","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag Ga Se2 -","- Ag Ga Se2 -","- Ag4 Ga4 Se8 -","4","0.25","","Stoerger, G.; Hahn, H.; Klingler, W.; Meyer, A.D.; Frank, G.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","10.1002/zaac.19532710307","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509352","5.9921","","5.9921","","10.883","","90","","90","","90","","390.757","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag Ga Se2 -","- Ag Ga Se2 -","- Ag4 Ga4 Se8 -","4","0.25","","Bodnar', I.V.; Orlova, N.S.","X-ray evidence on thermal-expansion anisotropy in Ag Ga Se2 at 80-650 K","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1987","23","","758","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509353","5.853","","5.853","","10.82","","90","","90","","90","","370.667","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Ag Ga Sn Se4","","- Ag Ga Se4 Sn -","- Ag Ga Se4 Sn -","- Ag2 Ga2 Se8 Sn2 -","2","0.125","","Rivera, A.V.; Lopez-Rivera, A.; Gomez, C.D.; de Gil, E.R.","X-Ray Crystal Structure of the Quaternary Semiconductor Compound: Ag Ga Sn Se4","Progress in Crystal Growth and Characterization","1985","10","","217","223","10.1016/0146-3535(84)90038-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509354","6.288","","6.288","","11.94","","90","","90","","90","","472.095","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag Ga Te2 -","- Ag Ga Te2 -","- Ag4 Ga4 Te8 -","4","0.25","","Frank, G.; Klingler, W.; Hahn, H.; Stoerger, G.; Meyer, A.D.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","10.1002/zaac.19532710307","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509400","5.816","","5.816","","11.17","","90","","90","","90","","377.835","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag In S2 -","- Ag In S2 -","- Ag4 In4 S8 -","4","0.25","","Meyer, A.D.; Klingler, W.; Frank, G.; Stoerger, G.; Hahn, H.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","10.1002/zaac.19532710307","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509402","5.876","","5.876","","11.198","","90","","90","","90","","386.638","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag In S2 -","- Ag In S2 -","- Ag4 In4 S8 -","4","0.25","","Rozhdestvenskaya, I.V.; Rud', Yu.V.; Vaipolin, A.A.","Interatomic interaction aspect of phase transition in Ag In S2 crystals","Crystal Research and Technology","1988","23","","337","341","10.1002/crat.2170230309","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509404","5.8288","","5.8288","","11.1975","","90","","90","","90","","380.434","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag In S2 -","- Ag In S2 -","- Ag4 In4 S8 -","4","0.25","","Orlova, N.S.; Bodnar', I.V.","X-ray study of the thermal expansion anisotropy in Ag Ga S2 and Ag In S2 compounds over the temperature range from 80 to 650 K","Physica Status Solidi, Sectio A: Applied Research","1985","91","","503","507","10.1002/pssa.2210910218","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509408","6.092","","6.092","","11.64","","90","","90","","90","","431.989","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag In Se2 -","- Ag In Se2 -","- Ag4 In4 Se8 -","4","0.25","","Lerner, L.S.","Cu Ga Se2 and Ag In Se2: Preparation and properties of single crystals","Journal of Physics and Chemistry of Solids","1966","27","","1","8","10.1016/0022-3697(66)90157-0","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509409","6.1038","","6.1038","","11.7118","","90","","90","","90","","436.339","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag In Se2 -","- Ag In Se2 -","- Ag4 In4 Se8 -","4","0.25","","Lesueur, R.; Djega-Mariadassou, C.; Benoit, P.; Charpin, P.","Crystal structure of chalcopyrite Ag In Se2","Japanese Journal of Applied Physics","1980","19","","85","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509412","6.4672","","6.4672","","12.6331","","90","","90","","90","","528.375","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag In Te2 -","- Ag In Te2 -","- Ag4 In4 Te8 -","4","0.25","","Gopalam, B.S.V.; Krishna Rao, D.; Kasiviswanathan, S.","Preparation and charecterization of the pseudobinary system Cu1-x Agx In Te2","Journal of Materials Science. Letters","1986","5","","912","914","10.1007/BF01729272","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509413","6.406","","6.406","","12.56","","90","","90","","90","","515.423","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag In Te2 -","- Ag In Te2 -","- Ag4 In4 Te8 -","4","0.25","","Meyer, A.D.; Klingler, W.; Stoerger, G.; Frank, G.; Hahn, H.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","10.1002/zaac.19532710307","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509414","6.44296","","6.44296","","12.63572","","90","","90","","90","","524.531","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag In1.03 Te1.972 -","- Ag0.998 In1.03 Te1.972 -","- Ag3.992 In4.12 Te7.888 -","4","0.25","","Moustafa, A.M.; El-Sayad, E.A.; Sakr, G.B.","Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method","Crystal Research and Technology","2004","39","","266","273","10.1002/crat.200310181","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509597","6.3879","","6.3879","","12.5969","","90","","90","","90","","514.02","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","(Ag1.5 Cu0.5) In2 Te4","","- Ag1.5 Cu0.5 In2 Te4 -","- Ag1.5 Cu0.5 In2 Te4 -","- Ag3 Cu In4 Te8 -","2","0.125","","Gopalam, B.S.V.; Krishna Rao, D.; Kasiviswanathan, S.","Preparation and characterization of the pseudobinary system Cu1-x Agx In Te2","Journal of Materials Science","1986","5","","912","914","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511409","10.764","","10.764","","8.947","","90","","90","","90","","1036.63","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","Li3 B14","","- B14 Li3 -","- B14 Li3 -","- B112 Li24 -","8","0.5","","Mair, G.; Nesper, R.; von Schnering, H.G.","Trilithium tetradecaboride Li3 B14: Synthesis, structure and properties","Journal of Solid State Chemistry","1988","75","","30","40","10.1016/0022-4596(88)90300-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512583","21.2352","0.0008","21.2352","0.0008","23.791","0.001","90","","90","","90","","10728.2","0.7","150","","150","","","","","","","","Synthesized by the authors. See text","5","I -4 2 d","I -4 2bw","122","","","","- C100 H96 N8 O8 Pt -","- C100 H96 N8 O8 Pt -","- C400 H384 N32 O32 Pt4 -","4","0.25","","Zems, Yaroslav; Moiseev, Andrey G.; Perepichka, Dmitrii F.","Convenient Synthesis of a Highly Soluble and Stable Phosphorescent Platinum Porphyrin Dye","Organic Letters","2013","15","20","5330","","10.1021/ol402590c","","","1.54178","CuKα","","0.0376","0.0375","","","0.115","0.1151","","","","","","1.196","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514556","33.2834","0.0006","33.2834","0.0006","16.7509","0.0006","90","","90","","90","","18556.4","0.8","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C102 H94 B2 Fe2 O P6 -","- C102 H94 B2 Fe2 O P6 -","- C816 H752 B16 Fe16 O8 P48 -","8","0.5","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.0596","0.0554","","","0.1516","0.1557","","","","","","1.117","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515078","36.3615","0.0003","36.3615","0.0003","34.7679","0.0006","90","","90","","90","","45968.7","1","296","2","296","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C34.71 H20 O8 Zn1.71 -","- C34.7143 H20 O8 Zn1.71429 -","- C972 H560 O224 Zn48 -","28","1.75","","Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin","A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities","Chemical Science","2012","3","10","3032","","10.1039/c2sc20601c","","","1.54178","CuKα","","0.0478","0.0388","","","0.0933","0.0966","","","","","","0.954","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515472","41.392","0.014","41.392","0.014","22.518","0.007","90","","90","","90","","38580","2","90","2","90","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C264 H288 N16 S4 Zn4 -","- C264 H288 N16 S4 Zn4 -","- C1056 H1152 N64 S16 Zn16 -","4","0.25","","Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro","A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60","Chemical Science","2011","2","4","748","","10.1039/c0sc00605j","","","0.71069","MoKα","","0.2196","0.086","","","0.211","0.2413","","","","","","0.715","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517802","3.5518","0.0005","3.5518","0.0005","5.9184","0.0009","90","","90","","90","","74.662","0.019","295","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- C O2 -","- C O2 -","- C4 O8 -","4","0.25","","Datchi, Frédéric; Mallick, Bidyut; Salamat, Ashkan; Ninet, Sandra","Structure of Polymeric Carbon Dioxide CO~2~-V","Physical Review Letters","2012","108","12","125701","","10.1103/physrevlett.108.125701","powder diffraction","","","X-ray","","","","","","","","","3.6822","","","","","","","","has coordinates","209050","2020-10-21","18:00:00",""
"1518158","9.182","0.002","9.182","0.002","20.117","0.004","90","","90","","90","","1696","0.6","","","293","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Cs2 Fe4 Na10 O12 -","- Cs2 Fe4 Na10 O12 -","- Cs8 Fe16 Na40 O48 -","4","0.25","","Luge, R.; Hoppe, R.","Neue oxoferrate(III) der alkalimetalle: Cs2Na10[(FeO3)4]","Revue de Chimie Minerale","1986","23","","201","216","","","x-ray","0.56083","AgKα","","","0.0961","","","0.0596","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521371","5.7955","","5.7955","","11.6464","","90","","90","","90","","391.177","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu0.978 In Se1.988 -","- Cu0.9776 In Se1.988 -","- Cu3.9104 In4 Se7.952 -","4","0.25","","Kaplan, L.; Leitus, G.; Lyakhovitskaya, V.; Frolow, F.; Hallak, H.; Kvick, A.; Cahen, D.","Synchrotron X-ray diffraction evidence for native defects in the photovoltaic semiconductor Cu In Se2","Advanced Materials","2000","12","5","366","370","10.1002/(SICI)1521-4095(200003)12:5<366::AID-ADMA366>3.0.CO;2-9","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521373","5.7877","","5.7877","","11.6274","","90","","90","","90","","389.488","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu0.974 In Se1.989 -","- Cu0.974 In Se1.9892 -","- Cu3.896 In4 Se7.9568 -","4","0.25","","Kaplan, L.; Leitus, G.; Lyakhovitskaya, V.; Frolow, F.; Hallak, H.; Kvick, A.; Cahen, D.","Synchrotron X-ray diffraction evidence for native defects in the photovoltaic semiconductor Cu In Se2","Advanced Materials","2000","12","5","366","370","10.1002/(SICI)1521-4095(200003)12:5<366::AID-ADMA366>3.0.CO;2-9","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521907","15.956","","15.956","","14.146","","90","","90","","90","","3601.49","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Tl4 Pd3 Cl10","","- Cl10 Pd3 Tl4 -","- Cl10 Pd3 Tl4 -","- Cl80 Pd24 Tl32 -","8","0.5","","Schuepp, B.; Keller, H.L.","Tl4 Pd3 Cl10 - eine Verbindung mit neuartiger ((Pd Cl2 Cl2/2)4)(4-) Baugruppe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","241","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","142124","2020-10-21","18:00:00",""
"1523946","13.9688","0.0003","13.9688","0.0003","13.3347","0.0004","90","","90","","90","","2601.96","0.11","110","","110","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C24 H40 N4 O4 Si -","- C24 H40 N4 O4 Si -","- C96 H160 N16 O16 Si4 -","4","0.25","","Kaßner, L.; Nagel, K.; Grützner, R.-E.; Korb, M.; Rüffer, T.; Lang, H.; Spange, S.","Polyamide 6/silica hybrid materials by a coupled polymerization reaction","Polym. Chem.","2015","6","35","6297","","10.1039/C5PY00815H","","","0.71073","MoKα","","0.0282","0.0263","","","0.0639","0.065","","","","","","1.074","","","","has coordinates","155249","2020-10-21","18:00:00",""
"1526097","5.7815","","5.7815","","11.6159","","90","","90","","90","","388.27","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu0.98 In0.98 Se2 -","- Cu0.98 In0.98 Se2 -","- Cu3.92 In3.92 Se8 -","4","0.25","","Gladkikh, L.I.; Rogacheva, E.I.; Tavrina, T.V.; Fomina, L.P.","X-ray diffraction study of nonstoichiometry in Cu In Se2+d","Neorganicheskie Materialy","2000","36","","1309","1312","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526099","5.7818","","5.7818","","11.6179","","90","","90","","90","","388.377","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu0.961 In0.961 Se2 -","- Cu0.961 In0.961 Se2 -","- Cu3.844 In3.844 Se8 -","4","0.25","","Gladkikh, L.I.; Tavrina, T.V.; Rogacheva, E.I.; Fomina, L.P.","X-ray diffraction study of nonstoichiometry in Cu In Se2+d","Neorganicheskie Materialy","2000","36","","1309","1312","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526104","7.592","","7.592","","7.626","","90","","90","","90","","439.551","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","(N H4) H2 (P O4)0.526 (As O4)0.474","","- As0.474 H6 N O4 P0.526 -","- As0.474 H6 N O4 P0.526 -","- As1.896 H24 N4 O16 P2.104 -","4","0.25","","Naili, H.; Mhiri, T.; Daoud, A.","Structural, vibrational and calorimetric study of a new ammonium dihydrogen phosphate-arsenate: N H4 H2 (P O4)0.52 (As O4)0.48","International Journal of Inorganic Materials","2001","4","","393","400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526323","5.987","","5.987","","11.979","","90","","90","","90","","429.377","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Cu In Se Te -","- Cu In Se Te -","- Cu4 In4 Se4 Te4 -","4","0.25","","Rashmi; Suri, D.K.","X-ray powder diffraction study of Cu In Se Te","Powder Diffraction","2000","15","","65","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526422","7.5973","","7.5973","","7.0966","","90","","90","","90","","409.608","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (H2 As O4)","","- As H2 K O4 -","- As H2 K O4 -","- As4 H8 K4 O16 -","4","0.25","","Ichikawa, M.; Amasaki, D.; Olovsson, I.; Gustafsson, T.","X-ray structural study of ferroelectric K H2 As O4 and K D2 As O4","Journal of the Physical Society of Japan","2001","70","","2327","2332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526423","7.6237","","7.6237","","7.1163","","90","","90","","90","","413.605","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (D2 As O4)","","- As D2 K O4 -","- As D2 K O4 -","- As4 D8 K4 O16 -","4","0.25","","Ichikawa, M.; Amasaki, D.; Gustafsson, T.; Olovsson, I.","X-ray structural study of ferroelectric K H2 As O4 and K D2 As O4","Journal of the Physical Society of Japan","2001","70","","2327","2332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526844","13.639","","13.639","","6.545","","90","","90","","90","","1217.52","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K7.98 (Ga7.98 Si12.02 O40) (H2 O)6.32","","- Ga7.98 K7.48 O46.32 Si12.02 -","- Ga7.98 K7.48 O46.32 Si12.02 -","- Ga7.98 K7.48 O46.32 Si12.02 -","1","0.0625","","Lee, Y.-J.; Kim, S.-J.; Parise, J.B.","Synthesis and crystal structures of gallium- and germanium variants of the fibrous zeolites with the NAT, EDI and THO structure types","Microporous and Mesoporous Materials","2000","34","","255","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","148096","2020-10-21","18:00:00",""
"1527430","6.858","","6.858","","18.872","","90","","90","","90","","887.591","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Co3 (As O4)2","","- As2 Co3 O8 -","- As2 Co3 O8 -","- As12 Co18 O48 -","6","0.375","","Gopal, R.; Rutherford, J.S.; Robertson, B.E.","Closest Packing in Dense Oxides: The Structure of a Polymorph of Co3 (As O4)2","Journal of Solid State Chemistry","1980","32","","29","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","149007","2020-10-21","18:00:00",""
"1528769","5.7931","","5.7931","","11.16383","","90","","90","","90","","374.658","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Cu0.97 Cd0.06 In0.97 Se2","","- Cd0.06 Cu0.97 In0.97 Se2 -","- Cd0.043 Cu0.977 In0.98 Se2 -","- Cd0.172 Cu3.908 In3.92 Se8 -","4","0.25","","Olekseyuk, I.D.; Parasyuk, O.V.; Piskach, L.V.; Dzham, O.A.","The reciprocal Cu In Se2 + 2Cd Se = Cu In Se2 + 2 Cd S system. Part I. The quasi-binary Cu In Se2 - Cd Se system: Phase diagram and crystal structure of solid solutions","Journal of Solid State Chemistry","2006","179","","315","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","151429","2020-10-21","18:00:00",""
"1528803","5.48","","5.48","","9.143","","90","","90","","90","","274.568","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Ge S2 -","- Ge S2 -","- Ge4 S8 -","4","0.25","","Prewitt, C.T.; Young, H.S.","Germanium and silicon disulfides: Structure and synthesis","Science","1965","149","","535","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528804","5.42","","5.42","","8.718","","90","","90","","90","","256.103","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","Si S2","","- S2 Si -","- S2 Si -","- S8 Si4 -","4","0.25","","Prewitt, C.T.; Young, H.S.","Germanium and silicon disulfides: Structure and synthesis","Science","1965","149","","535","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528916","11.473","","11.473","","5.208","","90","","90","","90","","685.528","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","U F5","","- F5 U -","- F5 U -","- F40 U8 -","8","0.5","","Taylor, J.C.; Waugh, A.B.","Neutron diffraction study of beta-uranium pentafluoride between 77 and 403 K","Journal of Solid State Chemistry","1980","35","","137","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529512","11.506","","11.506","","5.644","","90","","90","","90","","747.198","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Cu (B2 O4)","","- B2 Cu O4 -","- B2 Cu O4 -","- B24 Cu12 O48 -","12","0.75","","Abdullaev, G.K.; Mamedov, H.S.","The refinement of the crystal structure of copper metaborate Cu B2 O4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1981","22","","184","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530077","7.982","","7.982","","7.889","","90","","90","","90","","502.627","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Cs D2 As O4","","- As Cs D2 O4 -","- As Cs D2 O4 -","- As4 Cs4 D8 O16 -","4","0.25","","Hay, W.J.; Nelmes, R.J.","Structural studies of deuterated Cs H2 As O4 in its paraelectric and ferroelectric phases","Journal of Physics C","1981","14","","1043","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530147","7.607","","7.607","","7.299","","90","","90","","90","","422.367","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Rb (H2 P O4)","","- H2 O4 P Rb -","- H2 O4 P Rb -","- H8 O16 P4 Rb4 -","4","0.25","","Kennedy, N.S.J.; Nelmes, R.J.","Structural studies of Rb H2 P O4 in its paraelectric and ferroelectric phases","Journal of Physics C","1980","13","","4841","4853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530205","10.99","","10.99","","4.258","","90","","90","","90","","514.282","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","V O (P O3)2","","- O7 P2 V -","- O7 P2 V -","- O28 P8 V4 -","4","0.25","","Krasnikov, V.V.; Konstant, Z.A.","Crystal structure of beta-V O (P O3)2","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1979","15","","2164","2167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530416","7.34","","7.34","","6.975","","90","","90","","90","","375.782","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (H2 P O4)","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Meyer, G.M.; Vettier, C.; Nelmes, R.J.","A single-crystal neutron-diffraction study of the crystal structure of tetragonal K H2 P O4 at high pressure (14 kbar)","Journal of Physics C","1980","13","","4035","4051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530643","7.608","","7.608","","7.296","","90","","90","","90","","422.305","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Rb (H2 P O4)","","- H2 O4 P Rb -","- O4 P Rb -","- O16 P4 Rb4 -","4","0.25","","Rez, I.S.; Pakhomov, V.I.; Sil'nitskaya, G.B.; Fedorov, P.M.","Some problems of the crystal chemistry of the crystals of the type K H2 P O4","Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya","1967","31","","1082","1085","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530664","7.616","","7.616","","7.293","","90","","90","","90","","423.019","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Rb (H2 P O4)","","- H2 O4 P Rb -","- O4 P Rb -","- O16 P4 Rb4 -","4","0.25","","Rusakov, A.A.; Kheiker, D.M.","Refinement of the structure of Rb H2 P O4 at room temperature","Kristallografiya","1978","23","","409","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530876","7.469","","7.469","","6.976","","90","","90","","90","","389.163","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (D2 P O4)","","- D2 K O4 P -","- D2 K O4 P -","- D8 K4 O16 P4 -","4","0.25","","Tibballs, J.E.; Nelmes, R.J.; McIntyre, G.J.","The crystal structure of tetragonal K H2 P O4 and K D2 P O4 as a function of temperature and pressure","Journal of Physics C","1982","15","","37","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532036","5.5119","","5.5119","","11.107","","90","","90","","90","","337.442","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","(Cu0.89 Zn0.11) (In0.89 Zn0.11) S2","","- Cu0.89 In0.89 S2 Zn0.22 -","- Cu0.89 In0.89 S2 Zn0.22 -","- Cu3.56 In3.56 S8 Zn0.88 -","4","0.25","","Parasyuk, O.V.; Voronyuk, S.V.; Gulay, L.D.; Davidyuk, G.E.; Halka, V.O.","Phase diagram of the (Cu In S2) - (Zn S) system and some physical properties of solid solutions phases","Journal of Alloys Compd.","2003","348","","57","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","157653","2020-10-21","18:00:00",""
"1532948","6.19288","","6.19288","","12.42323","","90","","90","","90","","476.453","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu1.05 In1.03 Te1.92 -","- Cu1.05 In1.03 Te1.92 -","- Cu4.2 In4.12 Te7.68 -","4","0.25","","Moustafa, A.M.; El-Sayad, E.A.; Sakr, G.B.","Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method","Crystal Research and Technology","2004","39","","266","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533720","7.99","","7.99","","7.88","","90","","90","","90","","503.06","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Cs D2 (As O4)","","- As Cs0.5 D2 O4 -","- As Cs0.5 D2 O4 -","- As4 Cs2 D8 O16 -","4","0.25","","Hay, W.J.; Nelmes, R.J.","Structural studies of Cs D2 As O4 in the paraelectric phase and the ferroelectric phase","Ferroelectrics","1976","14","","599","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534573","32.0481","","32.0481","","17.3208","","90","","90","","90","","17789.9","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K11 U7 (P S4)13","","- K11 P13 S52 U7 -","- K11 P13 S52 U7 -","- K88 P104 S416 U56 -","8","0.5","","Gieck, C.; Tremel, W.","Interlocking inorganic screw helices: synthesis, structure and magnetism of the novel framework uranium orthothiophosphates A11 U7 (P S4)13 (A = K, Rb)","Chemistry - A European Journal","2002","8","","2980","2987","","","","","","","","","","","","","","","","","","","","","","has coordinates","161407","2020-10-21","18:00:00",""
"1534576","32.1641","","32.1641","","17.7244","","90","","90","","90","","18336.4","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Rb11 U7 (P S4)13","","- P13 Rb11 S52 U7 -","- P13 Rb11 S52 U7 -","- P104 Rb88 S416 U56 -","8","0.5","","Gieck, C.; Tremel, W.","Interlocking inorganic screw helices: synthesis, structure and magnetism of the novel framework uranium orthothiophosphates A11 U7 (P S4)13 (A = K, Rb)","Chemistry - A European Journal","2002","8","","2980","2987","","","","","","","","","","","","","","","","","","","","","","has coordinates","161412","2020-10-21","18:00:00",""
"1534662","4.6182","","4.6182","","7.0204","","90","","90","","90","","149.729","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","P N (N H)","","- H N2 P -","- H N2 P -","- H4 N8 P4 -","4","0.25","","Schnick, W.; Luecke, J.","Darstellung, Kristallstruktur und IR-spektroskopische Untersuchung von Phosphor(V)-nitrid-imid, HPN2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","610","","121","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534854","15.8802","","15.8802","","13.1561","","90","","90","","90","","3317.72","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Rb0.46 (Ta P S6)","","- P Rb0.46 S6 Ta -","- P Rb0.461 S6 Ta -","- P16 Rb7.376 S96 Ta16 -","16","1","","Gutzmann, A.; Naether, C.; Bensch, W.","Synthesis, crystal structure and vibrational properties of K0.38 Ta P S6 and Rb0.46 Ta P S6: chemical intercalation and deintercalation of the ternary Ta P S6 phase","Solid State Sciences","2004","6","","1155","1162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535813","7.628","","7.628","","7.1585","","90","","90","","90","","416.527","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (H2 As O4)","","- As H2 K O4 -","- As H2 K O4 -","- As4 H8 K4 O16 -","4","0.25","","Ilyukhin, A.B.; Katser, S.B.; Levin, A.A.","Structure refinement of two crystals from the KDP family (N D4) D2 P O4 and K H2 As O4 in the paraphase.","Zhurnal Neorganicheskoi Khimii","1995","40","","1599","1600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536887","13.07","","13.07","","6.58","","90","","90","","90","","1124.03","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Na2 (Si (Si0.5 Al0.5)4 O10) (H2 O)2","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al8 H16 Na8 O48 Si12 -","4","0.25","","Rastsvetaeva, R.K.","Crystal structure of maximum - ordered tetranatrolite Na2(Si(Si0.5 Al0.5)4 O10) 2(H2 O)","Kristallografiya","1995","40","","812","815","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537232","4.9721","","4.9721","","6.976","","90","","90","","90","","172.459","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Na (P N2)","","- N2 Na P -","- N2 Na P -","- N8 Na4 P4 -","4","0.25","","Landskron, K.; Schmid, S.; Schnick, W.","Hochdruck-Synthese, Kristallstruktur und Eigenschaften von Na P N2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2469","2472","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538449","5.398","","5.398","","10.33","","90","","90","","90","","301","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","Zn Cl2","","- Cl2 Zn -","- Cl2 Zn -","- Cl8 Zn4 -","4","0.25","","Oswald, H.R.; Jaggi, H.","Zur Struktur der wasserfreien Zinkhalogenide. I. Die wasserfreien Zinkchloride","Helvetica Chimica Acta","1960","43","","72","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539402","6.86707","","6.86707","","18.9545","","90","","90","","90","","893.831","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Li Mg4 (V O4)3","","- Li Mg4 O12 V3 -","- Li Mg4 O12 V3 -","- Li4 Mg16 O48 V12 -","4","0.25","","Tyutyunnik, A.P.; Zubkov, V.G.; Surat, L.L.; Slobodin, B.V.","Synthesis and crystal structure of Li Mg4 (V O4)3","Zhurnal Neorganicheskoi Khimii","2004","49","","610","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539501","5.721","","5.721","","10.095","","90","","90","","90","","330.408","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Mg Si P2","","- Mg P2 Si -","- Mg P2 Si -","- Mg4 P8 Si4 -","4","0.25","","Springthorpe, A.J.; Harrison, J.G.","Mg Si P2: a new member of the II IV V2 family of semiconducting compounds","Nature (London)","1969","222","","977","977","10.1038/222977a0","","","","","","","","","","","","","","","","","","","","","has coordinates","280127","2023-01-05","16:34:19",""
"1539762","7.278","","7.278","","6.807","","90","","90","","90","","360.562","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (H2 P O4)","","- H2 K O4 P -","- K O4 P -","- K4 O16 P4 -","4","0.25","","Endo, S.; Chino, T.; Tsuboi, S.; Koto, K.","Pressure-induced transition of the hydrogen bond in the ferroelectric compounds K H2 P O4 and K D2 P O4","Nature (London)","1989","340","","452","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539803","7.702","","7.702","","7.715","","90","","90","","90","","457.66","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","(N H4) (H2 As O4)","","- As H6 N O4 -","- As H6 N O4 -","- As4 H24 N4 O16 -","4","0.25","","Fukami, T.","X-ray study of crystal structure of (N H4) H2 As O4 in the paraelectric and antiferroelectric phases","Physica Status Solidi, Sectio A: Applied Research","1990","121","","383","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540914","4.575","","4.575","","7.118","","90","","90","","90","","148.984","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Li P N2","","- Li N2 P -","- Li N2 P -","- Li4 N8 P4 -","4","0.25","","Schnick, W.; Luecke, J.","Zur Kenntnis von Lithium-phosphor(V)-nitrid. Reindarstellung und Verfeinerung der Kristallstruktur von Li P N2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","588","","19","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541282","6.89","","6.89","","19.292","","90","","90","","90","","915.832","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Na Mg4 (V O4)3","","- Mg4 Na O12 V3 -","- Mg4 Na O12 V3 -","- Mg16 Na4 O48 V12 -","4","0.25","","Murashova, E.V.; Velikodnyi, Yu.A.; Trunov, V.K.","Crystal structure of Na Mg4 (V O4)3","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1988","29","","182","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542070","11.1414","","11.1414","","19.405","","90","","90","","90","","2408.76","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Ga3.3 Ge0.7 S8) (C3 H9 N O)","","- Ga3.3 Ge0.7 S8 -","- Ga3.3 Ge0.7 S8 -","- Ga13.2 Ge2.8 S32 -","4","0.25","","Zheng Nanfeng; Bu Xianhui; Feng Pingyun; Wang Bing","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","174028","2020-10-21","18:00:00",""
"1542072","11.5128","","11.5128","","18.912","","90","","90","","90","","2506.68","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Ga2 Ge2 (N2.88) S8","","- Ga2 Ge2 N2.88 S8 -","- Ga2 Ge2 N2.88 S8 -","- Ga8 Ge8 N11.52 S32 -","4","0.25","","Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","174030","2020-10-21","18:00:00",""
"1542073","11.6915","","11.6915","","19.898","","90","","90","","90","","2719.88","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Ga2.32 Sn1.68 S8) (C6 H18 N4)","","- Ga2.316 S8 Sn1.684 -","- Ga2.316 S8 Sn1.684 -","- Ga9.264 S32 Sn6.736 -","4","0.25","","Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","174032","2020-10-21","18:00:00",""
"1542075","12.5373","","12.5373","","20.564","","90","","90","","90","","3232.33","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Ga2.47 Sn1.53 Se8) (C6 H18 N4)","","- Ga2.46 Se8 Sn1.54 -","- Ga2.46 Se8 Sn1.54 -","- Ga9.84 Se32 Sn6.16 -","4","0.25","","Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","174034","2020-10-21","18:00:00",""
"1542077","11.5313","","11.5313","","19.936","","90","","90","","90","","2650.91","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(In1.84 Ge2.16 S8) (C9 H20 N2)","","- Ge2.164 In1.836 S8 -","- Ge2.164 In1.836 S8 -","- Ge8.656 In7.344 S32 -","4","0.25","","Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","174036","2020-10-21","18:00:00",""
"1542079","11.4416","","11.4416","","20.21","","90","","90","","90","","2645.7","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(In1.72 Ge2.28) S8","","- Ge2.28 In1.72 S8 -","- Ge2.28 In1.72 S8 -","- Ge9.12 In6.88 S32 -","4","0.25","","Zheng Nanfeng; Feng Pingyun; Wang Bing; Bu Xianhui","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","174038","2020-10-21","18:00:00",""
"1542190","11.2864","","11.2864","","19.214","","90","","90","","90","","2447.53","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ga2 Ge2 S8 -","- Ga2 Ge2 S8 -","- Ga8 Ge8 S32 -","4","0.25","","Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542192","11.599","","11.599","","19.817","","90","","90","","90","","2666.12","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Ga2 Ge2 S8) (C6 H14 N2 O)","","- Ga2 Ge2 S8 -","- Ga2 Ge2 S8 -","- Ga8 Ge8 S32 -","4","0.25","","Zheng Nanfeng; Wang Bing; Bu Xianhui; Feng Pingyun","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","174245","2020-10-21","18:00:00",""
"1542201","5.312","","5.312","","10.42","","90","","90","","90","","294.025","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Cu Al S2","","- Al Cu S2 -","- Al Cu S2 -","- Al4 Cu4 S8 -","4","0.25","","Hahn, H.; Klingler, W.; Frank, G.; Stoerger, G.; Meyer, A.D.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542202","5.617","","5.617","","10.922","","90","","90","","90","","344.597","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Cu Al Se2","","- Al Cu Se2 -","- Al Cu Se2 -","- Al4 Cu4 Se8 -","4","0.25","","Hahn, H.; Meyer, A.D.; Frank, G.; Klingler, W.; Stoerger, G.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542203","5.976","","5.976","","11.804","","90","","90","","90","","421.551","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Cu Al Te2","","- Al Cu Te2 -","- Al Cu Te2 -","- Al4 Cu4 Te8 -","4","0.25","","Hahn, H.; Stoerger, G.; Frank, G.; Klingler, W.; Meyer, A.D.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542204","5.994","","5.994","","11.91","","90","","90","","90","","427.903","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu Ga Te2 -","- Cu Ga Te2 -","- Cu4 Ga4 Te8 -","4","0.25","","Hahn, H.; Frank, G.; Klingler, W.; Meyer, A.D.; Stoerger, G.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542205","5.517","","5.517","","11.06","","90","","90","","90","","336.636","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu In S2 -","- Cu In S2 -","- Cu4 In4 S8 -","4","0.25","","Hahn, H.; Frank, G.; Klingler, W.; Meyer, A.D.; Stoerger, G.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542206","5.773","","5.773","","11.55","","90","","90","","90","","384.933","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu In Se2 -","- Cu In Se2 -","- Cu4 In4 Se8 -","4","0.25","","Hahn, H.; Stoerger, G.; Frank, G.; Meyer, A.D.; Klingler, W.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542207","6.167","","6.167","","12.34","","90","","90","","90","","469.314","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu In Te2 -","- Cu In Te2 -","- Cu4 In4 Te8 -","4","0.25","","Hahn, H.; Stoerger, G.; Klingler, W.; Frank, G.; Meyer, A.D.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542208","5.591","","5.591","","11.193","","90","","90","","90","","349.885","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Cu Tl S2","","- Cu S2 Tl -","- Cu S2 Tl -","- Cu4 S8 Tl4 -","4","0.25","","Hahn, H.; Frank, G.; Klingler, W.; Meyer, A.D.; Stoerger, G.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542209","5.844","","5.844","","11.623","","90","","90","","90","","396.953","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Cu Tl Se2","","- Cu Se2 Tl -","- Cu Se2 Tl -","- Cu4 Se8 Tl4 -","4","0.25","","Hahn, H.; Klingler, W.; Frank, G.; Meyer, A.D.; Stoerger, G.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542210","6.09","","6.09","","11.67","","90","","90","","90","","432.818","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag In Se2 -","- Ag In Se2 -","- Ag4 In4 Se8 -","4","0.25","","Hahn, H.; Frank, G.; Meyer, A.D.; Klingler, W.; Stoerger, G.","Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","271","","153","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1545059","7.674","0.001","7.674","0.001","7.709","0.003","90","","90","","90","","454","0.2","","","220","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- As H6 N O4 -","- As H6 N O4 -","- As4 H24 N4 O16 -","4","0.25","","Fukami, Takanori","Refinement of the crystal structure of NH4H2AsO4 above and below antiferroelectric phase-transition temperature","Journal of the Physical Society of Japan","1989","58","","3429","3430","10.1143/JPSJ.58.3429","","x-ray","0.71069","MoKα","","","0.035","","","","","","","","","","","","","","has coordinates","190629","2020-10-21","18:00:00",""
"1546349","15.4001","0.0002","15.4001","0.0002","15.3253","0.0004","90","","90","","90","","3634.6","0.12","180.01","0.1","180.01","0.1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C44 H8 F20 N4 Ni -","- C44 H8 F20 N4 Ni -","- C176 H32 F80 N16 Ni4 -","4","0.25","","Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long","Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02073B","","","0.71073","MoKα","","0.0432","0.0353","","","0.0874","0.0933","","","","","","1.098","","","","has coordinates","197954","2020-10-21","18:00:00",""
"1550332","13.61515","0.00013","13.61515","0.00013","7.67903","0.00013","90","","90","","90","","1423.48","0.03","298","2","298","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4.32 H2.64 Ca O5 -","- C4.32 H2.64 Ca O5 -","- C34.56 H21.12 Ca8 O40 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54184","CuKα","","0.0806","0.0747","","","0.2029","0.2211","","","","","","1.135","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550333","13.6335","0.0007","13.6335","0.0007","7.6869","0.0018","90","","90","","90","","1428.8","0.4","298","2","298","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4.4 H2.8 Ca O5 -","- C4.4 H2.8 Ca O5 -","- C35.2 H22.4 Ca8 O40 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54178","CuKα","","0.0512","0.0489","","","0.1402","0.1424","","","","","","1.067","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550334","13.6557","0.0002","13.6557","0.0002","7.7174","0.0003","90","","90","","90","","1439.13","0.06","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4 H2 Ca O5 -","- C4 H2 Ca O5 -","- C32 H16 Ca8 O40 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54178","CuKα","","0.0674","0.0649","","","0.1696","0.1702","","","","","","1.104","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550335","13.575","0.002","13.575","0.002","7.687","0.002","90","","90","","90","","1416.6","0.5","200","2","200","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C4 Ca O6 -","- C4 Ca O5.9999 -","- C32 Ca8 O47.9992 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54178","CuKα","","0.0632","0.0632","","","0.1734","0.1734","","","","","","1.225","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550978","26.45","0.002","26.45","0.002","20.941","0.0019","90","","90","","90","","14650","2","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C187.23 H315.27 B8 Fe4 K4 N20 O11.62 -","- C187.232 H315.272 B8 Fe4 K4 N20 O11.616 -","- C374.464 H630.544 B16 Fe8 K8 N40 O23.232 -","2","0.125","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.1321","0.0935","","","0.2427","0.3014","","","","","","1.085","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1557466","28.0519","0.001","28.0519","0.001","9.7811","0.0007","90","","90","","90","","7696.8","0.7","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C48 H16 Co3 O24 -","- C48 H16 Co3 O24 -","- C192 H64 Co12 O96 -","4","0.25","","Zhao, Juanjuan; Hu, Haibo; Wu, Mingzai","N-Doped-carbon/cobalt-nanoparticle/N-doped-carbon multi-layer sandwich nanohybrids derived from cobalt MOFs having 3D molecular structures as bifunctional electrocatalysts for on-chip solid-state Zn-air batteries.","Nanoscale","2020","12","6","3750","3762","10.1039/c9nr09779a","","","0.71073","MoKα","","0.0533","0.0477","","","0.1184","0.1213","","","","","","1.091","","","","has coordinates,has disorder","248779","2020-10-21","18:00:00",""
"1559303","48.916","0.003","48.916","0.003","13.7593","0.001","90","","90","","90","","32923","4","103","2","103","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C87 H95 B2 Cl F10 O4 S4 -","- C81 H90 B2 F10 O4 S4 -","- C1296 H1440 B32 F160 O64 S64 -","16","1","","Li, Panpan; Liang, Quanbin; Hong, Eugene Yau-Hin; Chan, Chin-Yiu; Cheng, Yat-Hin; Leung, Ming-Yi; Chan, Mei-Yee; Low, Kam-Hung; Wu, Hongbin; Yam, Vivian Wing-Wah","Boron(iii) β-diketonate-based small molecules for functional non-fullerene polymer solar cells and organic resistive memory devices","Chemical Science","2020","","","","","10.1039/D0SC04047A","","","1.34138","GaKα","","0.1567","0.0979","","","0.2642","0.3243","","","","","","1.125","","","","has coordinates,has disorder","258261","2020-10-21","18:00:00",""
"1561333","12.6248","0.0005","12.6248","0.0005","19.4387","0.0018","90","","90","","90","","3098.2","0.3","150","","150","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- In2.67 S8 Sb1.33 -","- In2.67 S8 Sb1.33 -","- In10.68 S32 Sb5.32 -","4","0.25","","Lampkin, John D.; Powell, Anthony V.; Chippindale, Ann M.","Solvothermal synthesis of a new 3-D mixed-metal sulfide framework, (H1.33tren)[In2.67Sb1.33S8]·tren","Journal of Solid State Chemistry","2016","243","","44","49","10.1016/j.jssc.2016.08.007","","","0.71073","MoKα","","0.0608","0.0547","","0.0604","0.0565","0.0552","","","","","","0.9974","","","","has coordinates","263416","2021-03-29","09:25:06",""
"1561367","7.281","0.0018","7.281","0.0018","14.33","0.005","90","","90","","90","","759.7","0.4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- B Ba O8 P2 Rb -","- B Ba O8 P2 Rb -","- B4 Ba4 O32 P8 Rb4 -","4","0.25","","Khan, Muhammad Ali; Li, Yan-Yan; Lin, Hua; Zhang, Li-Jun; Liu, Peng-Fei; Zhao, Hua-Jun; Duan, Rui-Huan; Wang, Jin-Qiu; Chen, Ling","Syntheses of six and twelve membered borophosphate ring structure with nonlinear optical activity","Journal of Solid State Chemistry","2016","243","","259","266","10.1016/j.jssc.2016.05.030","","","0.71073","MoKα","","0.0206","0.0198","","","0.0499","0.0503","","","","","","1.242","","","","has coordinates","263444","2021-03-30","09:09:26",""
"1561803","7.3108","0.001","7.3108","0.001","10.364","0.002","90","","90","","90","","553.93","0.15","293","0.5","293","0.5","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Nb O6 Rb W -","- Nb0.956 O6 Rb W1.044 -","- Nb3.824 O24 Rb4 W4.176 -","4","0.25","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam; Sikora, Wiesława; Majchrowski, Andrzej","Modal disorder and phase transition in Rb0.91Nb0.96W1.04O5.98. Interpretation of X-ray diffuse scattering using the group theory approach","Journal of Solid State Chemistry","2015","230","","325","336","10.1016/j.jssc.2015.07.021","","","0.71073","MoKα","","0.0241","0.0235","","","0.0537","0.0546","","","","","","0.336","","","","has coordinates","264192","2021-04-15","07:52:34",""
"1562367","7.208","0.002","7.208","0.002","23.094","0.007","90","","90","","90","","1199.9","0.6","93","","93","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C5 H12 N2 -","- C5 H12 N2 -","- C40 H96 N16 -","8","0.5","","Aitken, R. Alan; Sonecha, Dheirya K.; Slawin, Alexandra M. Z.","Homopiperazine (Hexahydro-1,4-diazepine)","Molbank","2021","2021","2","M1200","","10.3390/M1200","","","0.71075","MoKα","","0.0649","0.0637","","","0.1633","0.1641","","","","","","1.137","","","","has coordinates","264976","2021-05-06","00:15:19",""
"1563130","7.0073","0.00002","7.0073","0.00002","19.6981","0.00008","90","","90","","90","","967.221","0.006","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","alpha Trimanganese Bis(vanadate(V))","","- Mn3 O8 V2 -","- Mn2.994 O8 V2 -","- Mn17.964 O48 V12 -","6","0.375","","Clemens, Oliver; Haberkorn, Robert; Beck, Horst Philipp","New phases in the system LiMnVO4–Mn3(VO4)2","Journal of Solid State Chemistry","2011","184","10","2640","2647","10.1016/j.jssc.2011.07.042","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","288179","2023-12-08","10:00:50",""
"1563481","5.78361","0.00008","5.78361","0.00008","11.6214","0.0003","90","","90","","90","","388.738","0.013","293","","293","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu In Se2 -","- Cu In Se2 -","- Cu4 In4 Se8 -","4","0.25","","Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M.","Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds","Journal of Solid State Chemistry","2010","183","10","2274","2280","10.1016/j.jssc.2010.08.014","","","0.71069","MoKα","","0.0301","0.0257","","","0.0759","0.0788","","","","1.47","1.47","1.47","","","","has coordinates","266469","2021-06-15","08:12:40",""
"1563482","5.7478","0.0001","5.7478","0.0001","11.507","0.002","90","","90","","90","","380.16","0.07","293","","293","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Cu Ga0.21 In0.79 Se2 -","- Cu Ga0.214 In0.786 Se2 -","- Cu4 Ga0.856 In3.144 Se8 -","4","0.25","","Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M.","Structural investigation of the Cu2Se–In2Se3–Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds","Journal of Solid State Chemistry","2010","183","10","2274","2280","10.1016/j.jssc.2010.08.014","","","0.71069","MoKα","","0.0662","0.0341","","","0.0738","0.0866","","","","1.2","1.2","1.16","","","","has coordinates","288574","2023-12-31","01:38:45",""
"1563483","5.697","0.00004","5.697","0.00004","11.3318","0.00014","90","","90","","90","","367.783","0.006","293","","293","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Cu Ga0.482 In0.518 Se2 -","- Cu Ga0.482 In0.518 Se2 -","- Cu4 Ga1.928 In2.072 Se8 -","4","0.25","","Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M.","Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds","Journal of Solid State Chemistry","2010","183","10","2274","2280","10.1016/j.jssc.2010.08.014","","","0.71069","MoKα","","0.0486","0.033","","","0.0968","0.1036","","","","1.73","1.73","1.62","","","","has coordinates","266469","2021-06-15","08:12:41",""
"1563484","5.6501","0.00005","5.6501","0.00005","11.1486","0.0002","90","","90","","90","","355.904","0.008","293","","293","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Cu Ga0.82 In0.18 Se2 -","- Cu Ga0.824 In0.176 Se2 -","- Cu4 Ga3.296 In0.704 Se8 -","4","0.25","","Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M.","Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds","Journal of Solid State Chemistry","2010","183","10","2274","2280","10.1016/j.jssc.2010.08.014","","","0.71069","MoKα","","0.0957","0.0457","","","0.1014","0.1215","","","","1.68","1.68","1.46","","","","has coordinates","266469","2021-06-15","08:12:41",""
"1563485","5.6191","0.0001","5.6191","0.0001","11.026","0.0002","90","","90","","90","","348.138","0.011","293","","293","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu Ga Se2 -","- Cu Ga Se2 -","- Cu4 Ga4 Se8 -","4","0.25","","Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M.","Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds","Journal of Solid State Chemistry","2010","183","10","2274","2280","10.1016/j.jssc.2010.08.014","","","0.71069","MoKα","","0.0738","0.043","","","0.1121","0.1311","","","","1.83","1.83","1.7","","","","has coordinates","266469","2021-06-15","08:12:41",""
"1564977","25.3399","0.0006","25.3399","0.0006","9.075","0.0002","90","","90","","90","","5827.2","0.2","150","2","150","","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H8 Cu2 I2 N4 O7 Tb -","- C21 H8 Cu2 I2 N4 O7 Tb -","- C168 H64 Cu16 I16 N32 O56 Tb8 -","8","0.5","","Shi, Ying; Ren, Xiao-Yang; Gao, Man; Hou, Yin-Ling; Ji, Jia; Wu, Zhi-Lei; Wang, Wen-Min","Luminescent and magnetic properties of two copper iodide cluster based lanthanide organic frameworks","Inorganica Chimica Acta","2020","506","","119536","","10.1016/j.ica.2020.119536","","","0.71073","MoKα","","0.0351","0.0346","","","0.095","0.0954","","","","","","1.038","","","","has coordinates,has disorder","269999","2021-10-18","09:23:54",""
"1564978","25.367","0.0004","25.367","0.0004","9.0667","0.0002","90","","90","","90","","5834.28","0.18","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H8 Cu2 Dy I2 N4 O7 -","- C21 H8 Cu2 Dy I2 N4 O7 -","- C168 H64 Cu16 Dy8 I16 N32 O56 -","8","0.5","","Shi, Ying; Ren, Xiao-Yang; Gao, Man; Hou, Yin-Ling; Ji, Jia; Wu, Zhi-Lei; Wang, Wen-Min","Luminescent and magnetic properties of two copper iodide cluster based lanthanide organic frameworks","Inorganica Chimica Acta","2020","506","","119536","","10.1016/j.ica.2020.119536","","","0.71073","MoKα","","0.0322","0.0294","","","0.0635","0.0647","","","","","","1.087","","","","has coordinates,has disorder","269999","2021-10-18","09:23:54",""
"1566646","8.304","","8.304","","4.024","","90","","90","","90","","277.481","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","ice XII","","- D2 O -","- D2 O -","- D24 O12 -","12","0.75","","Lobban, C.; Finney, J. L.; Kuhs, W. F.","The structure of a new phase of ice","Nature","1998","391","","268","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273840","2022-03-20","06:49:24",""
"1568223","5.7156","0.0005","5.7156","0.0005","10.074","0.002","90","","90","","90","","329.1","0.08","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Mg P2 Si -","- Mg P2 Si -","- Mg4 P8 Si4 -","4","0.25","","Chen, Jindong; Wu, Qingchen; Tian, Haotian; Jiang, Xiaotian; Xu, Feng; Zhao, Xin; Lin, Zheshuai; Luo, Min; Ye, Ning","Uncovering a Vital Band Gap Mechanism of Pnictides.","Advanced science (Weinheim, Baden-Wurttemberg, Germany)","2022","9","14","e2105787","","10.1002/advs.202105787","","","1.3414","GaKα","","0.033","0.0328","","","0.0862","0.0866","","","","","","1.212","","","","has coordinates","280126","2023-01-05","16:31:22",""
"1569535","14.0775","0.0003","14.0775","0.0003","24.3492","0.0008","90","","90","","90","","4825.4","0.2","173","0.1","173","0.1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Bis(tetrabutylammonium) tetrachloridomanganate(II) dichloromethane disolvate","","- C34 H76 Cl8 Mn N2 -","- C34 H76 Cl8 Mn N2 -","- C136 H304 Cl32 Mn4 N8 -","4","0.25","WM4191","Hay, Michael T.; Yennawar, Hemant P.","Bis(tetrabutylammonium) tetrachloridomanganate(II) dichloromethane disolvate","IUCrData","2023","8","7","","","10.1107/S2414314623006107","","x-ray","1.54184","CuKα","","0.1062","0.0754","","","0.2016","0.2215","","","","","","1.064","","","","has coordinates","285227","2023-07-15","02:00:57",""
"1569689","18.8695","0.0004","18.8695","0.0004","15.4503","0.0005","90","","90","","90","","5501.2","0.2","80","2","80","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H32 Fe2 N24 W -","- C56 H32 Fe2 N24 W -","- C224 H128 Fe8 N96 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.0378","0.034","","","0.0665","0.0674","","","","","","1.114","","","","has coordinates","286711","2023-10-05","23:51:35",""
"1569690","19.1966","0.0004","19.1966","0.0004","15.8129","0.0005","90","","90","","90","","5827.2","0.3","200","2","200","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H32 Fe2 N24 W -","- C56 H32 Fe2 N24 W -","- C224 H128 Fe8 N96 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.0437","0.0393","","","0.0734","0.0747","","","","","","1.136","","","","has coordinates","286711","2023-10-05","23:51:35",""
"1569691","19.1481","0.0004","19.1481","0.0004","15.7535","0.0006","90","","90","","90","","5776","0.3","140","2","140","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H32 Fe2 N24 W -","- C56 H32 Fe2 N24 W -","- C224 H128 Fe8 N96 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.0415","0.0382","","","0.0779","0.0788","","","","","","1.157","","","","has coordinates","286711","2023-10-05","23:51:35",""
"1570063","22.1078","0.0002","22.1078","0.0002","4.3558","0.0001","90","","90","","90","","2128.92","0.06","100","2","100","0.1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","2,4,5,7-Tetrafluoro-3,6-diaza-9-hydroxy-9-borafluorene","","- C10 H5 B F4 N2 O2 -","- C10 H5 B F4 N2 O2 -","- C80 H40 B8 F32 N16 O16 -","8","0.5","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0268","0.0261","","","0.0685","0.0689","","","","","","1.046","","","","has coordinates","288735","2024-01-06","07:19:14",""
"2000783","21.817","0.003","21.817","0.003","30.658","0.005","90","","90","","90","","17759","5","","","","","","","","","","","","6","I -4 2 d","I -4 2bw","","","","","- C65 H69 F12 N4 P10 Rh2 -","- C65 H69 F12 N4 P6 Rh2 -","- C520 H552 F96 N32 P48 Rh16 -","8","0.5","CR0383","Tortorelli, L. J.; Woods, C.; Campana, C. F.","Structure of the mixed-valence complex [Rh~2~(μ-{(C~6~H~5~)~2~PCH~2~P(C~6~H~5~)~2~})~2~(μ-N~2~C~5~H~7~)(<i>tert</i>-C~4~H~9~NC)~2~](PF~6~)~2~","Acta Crystallographica Section C","1992","48","7","1311","1312","10.1107/S0108270191014294","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203310","2020-10-21","18:00:00",""
"2001089","17.95","0.005","17.95","","10.907","0.002","90","","90","","90","","3514.3","1.2","","","","","","","","","","","","6","I -4 2 d","I -4 2bw","","","","","- C20 H49 Cl6 N8 O0.5 Zn3 -","- C20 H48 Cl6 N8 O Zn3 -","- C80 H192 Cl24 N32 O4 Zn12 -","4","0.25","MU0269","Alcock, N. W.; Berry, A.; Moore, P.","Structure of a complex of 1,4,8,11-tetraazacyclotetradecane (cyclam) with zinc(II) chloride","Acta Crystallographica Section C","1992","48","1","16","19","10.1107/S0108270191008454","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002467","12.7439","0.0037","12.7439","0.0037","8.148","0.0034","90","","90","","90","","1323.3","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Barium dicopper divanadium oxide","","- Ba Cu2 O8 V2 -","- Ba Cu2 O8 V2 -","- Ba8 Cu16 O64 V16 -","8","0.5","","Vogt, R; Mueller-Buschbaum, Hk","Ba Cu2 V2 O8: Eine Variante des Sr Ni2 V2 O8-Typs, mit Cu2+ in 4+1+1- Koordination","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","591","","167","173","10.1002/zaac.19905910119","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002524","12.6501","0.0029","12.6501","0.0029","8.1796","0.0017","90","","90","","90","","1308.9","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Barium strontium copper vanadate (0.5/0.5/2/2)","","- Ba0.5 Cu2 O8 Sr0.5 V2 -","- Ba0.5 Cu2 O8 Sr0.5 V2 -","- Ba4 Cu16 O64 Sr4 V16 -","8","0.5","","Vogt, R; Mueller-Buschbaum, Hk","Zur Kenntnis von (Ba0.5 Sr0.5) Cu2 V2 O8 und Ba (Cu Mg) V2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","602","","149","154","10.1002/zaac.19916020116","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004174","10.494","0.001","10.494","0.001","8.939","0.002","90","","90","","90","","984.4","0.3","296","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B6 Cs Li O10 -","- B6 Cs Li O10 -","- B24 Cs4 Li4 O40 -","4","0.25","OH1076","Sasaki, T.; Mori, Y.; Kuroda, I.; Nakajima, S.; Yamaguchi, K.; Watanabe, S.; Nakai, S.","Caesium Lithium Borate: a New Nonlinear Optical Crystal","Acta Crystallographica Section C","1995","51","11","2222","2224","10.1107/S0108270195005798","","","0.71073","MoKα","","","0.023","","","0.035","","","","","2.37","2.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005555","18.616","0.003","18.616","0.003","7.448","0.001","90","","90","","90","","2581.1","0.7","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","tetrakis(N-methylimdazole)zinc(II) perchlorate","","- C16 H24 Cl2 N8 O8 Zn -","- C16 H24 Cl2 N8 O8 Zn -","- C64 H96 Cl8 N32 O32 Zn4 -","4","0.25","SK1031","Chen, X.-M.; Huang, X.-C.; Xu, Z.-T.; Huang, X.-Y.","Tetrakis(1-methylimidazole-<i>N</i>^3^)zinc(II) Diperchlorate","Acta Crystallographica Section C","1996","52","10","2482","2484","10.1107/S0108270196007706","","","0.71069","MoKα","","0.0587","0.0534","","0.1509","0.1454","","","","1.112","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007146","13.775","0.006","13.775","0.006","30.533","0.005","90","","90","","90","","5794","4","291","2","291","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","bis(iodo)tetrakis{tris(dimethylamido)phosphineoxide}bismuth(III) pentaiodide","","- C24 H72 Bi I7 N12 O4 P4 -","- C24 H72 Bi I7 N12 O4 P4 -","- C96 H288 Bi4 I28 N48 O16 P16 -","4","0.25","BM1163","Louis J. Farrugia; Nicholas C. Norman; Nigel L. Pickett","Diiodotetrakis[tris(dimethylamino)phosphine oxide-<i>O</i>]bismuth(III) Pentaiodide, [BiI~2~{OP(NMe~2~)~3~}~4~][I~5~]","Acta Crystallographica Section C","1998","54","4","476","479","10.1107/S0108270197015485","","","0.71073","MoKα","","0.0658","0.0305","","0.0765","0.0659","","","","1.001","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007954","15.081","0.001","15.081","0.001","16.979","0.002","90","","90","","90","","3861.6","0.6","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","Bis[cadmium(en)3]-tetraiodocadmat-diiodid","Bis[tris(1,2-ethandiamin)cadmium]-tetraiodocadmat-diiodid","","- C12 H48 Cd3 I6 N12 -","- C12 H48 Cd3 I6 N12 -","- C48 H192 Cd12 I24 N48 -","4","0.25","JZ1291","Wieczorrek, Carsten; Tebbe, Karl-Friedrich","Bis[tris(1,2-ethandiamin)cadmium]-tetraiodocadmat-diiodid","Acta Crystallographica Section C","1998","54","12","1804","1807","10.1107/S0108270198007859","","","0.71073","MoKα","","0.029","0.021","","0.033","","0.033","","","0.966","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008844","6.781","0.001","6.781","0.001","18.835","0.004","90","","90","","90","","866.1","0.3","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","nickel arsenate","nickel arsenate","","- As3 Ni4.35 O12 -","- As3 Ni4.356 O12 -","- As12 Ni17.424 O48 -","4","0.25","QB0098","Jacques Barbier","Tetragonal Ni~4.35~As~3~O~11.7~(OH)~0.3~","Acta Crystallographica Section C","1999","55","8","IUC9900080","","10.1107/S0108270199099114","","","0.56086","AgKα","","0.041","0.029","","0.055","0.051","","","","0.896","0.954","0.954","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009183","9.563","0.002","9.563","0.002","23.347","0.005","90","","90","","90","","2135.1","0.8","150","2","150","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Tetrachloro(1,2-dimethoxyethane)titanium(IV)","","- C4 H10 Cl4 O2 Ti -","- C4 H10 Cl4 O2 Ti -","- C32 H80 Cl32 O16 Ti8 -","8","0.5","QB0122","Batsanov, Andrei S.; Howard, Judith A. K.; Hughes, Andrew K.; Kingsley, Andrew J.","Tetrachloro(1,2-dimethoxyethane-<i>O</i>,<i>O</i>')titanium(IV)","Acta Crystallographica Section C","1999","55","11","IUC9900137","","10.1107/S0108270199098571","","","0.71073","MoKα","","0.02","0.019","","","","0.052","","","","","","1.016","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2011334","14.742","0.001","14.742","","17.791","0.001","90","","90","","90","","3866.5","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","Tris-Ethylendiamin-zinktetraiodid","Tris(1,2-ethandiamin)zinktriiodid-iodid","","- C6 H24 I4 N6 Zn -","- C6 H24 I4 N6 Zn -","- C48 H192 I32 N48 Zn8 -","8","0.5","JZ1409","Wieczorrek, Carsten","Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel","Acta Crystallographica Section C","2000","56","9","1079","1081","10.1107/S0108270100008829","","","0.71073","MoKα","","0.0218","0.0196","","","","0.042","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011335","14.67","0.001","14.67","","17.754","0.002","90","","90","","90","","3820.8","0.5","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","Tris-Ethylendiamin-nickeltetraiodid","Tris(1,2-diaminoethan)nickeltriiodid-iodid","","- C6 H24 I4 N6 Ni -","- C6 H24 I4 N6 Ni -","- C48 H192 I32 N48 Ni8 -","8","0.5","JZ1409","Wieczorrek, Carsten","Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel","Acta Crystallographica Section C","2000","56","9","1079","1081","10.1107/S0108270100008829","","","0.71073","MoKα","","0.0452","0.0276","","","","0.0516","","","","","","0.905","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011380","10.276","0.002","10.276","0.002","30.249","0.004","90","","90","","90","","3194.2","1","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","tris(ethylenediamine)-nickel(II)tetrathioantimonate nitrate","tris(ethylenediamine)-nickel(II)tetrathioantimonate nitrate ?","","- C12 H48 N13 Ni2 O3 S4 Sb -","- C12 H48 N13 Ni2 O3 S4 Sb -","- C48 H192 N52 Ni8 O12 S16 Sb4 -","4","0.25","SK1373","Schur, Michael; Bensch, Wolfgang","Bis[tris(1,2-ethanediamine-<i>N</i>,<i>N</i>')nickel(II)] tetrathioantimonate(V) nitrate","Acta Crystallographica Section C","2000","56","9","1107","1108","10.1107/S0108270100009082","","","0.71073","MoKα","","0.0508","0.031","","","","0.0699","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011885","8.8047","0.0002","8.8047","0.0002","5.4329","0.0002","90","","90","","90","","421.17","0.02","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","zinc cyanamide","zinc cyanamide","","- C N2 Zn -","- C N2 Zn -","- C8 N16 Zn8 -","8","0.5","IZ1010","Becker, Michael; Jansen, Martin","Zinc cyanamide, Zn(CN~2~)","Acta Crystallographica Section C","2001","57","4","347","348","10.1107/S0108270101000865","","","0.71073","MoKα","","0.0268","0.0233","","","","0.0534","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015431","14.803","0.002","14.803","0.002","16.991","0.004","90","","90","","90","","3723.2","1.1","294","2","294","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","bis[tris(ethylenediamine)zinc] tetraiodocadmate diiodide","","- C12 H48 Cd I6 N12 Zn2 -","- C12 H48 Cd I6 N12 Zn2 -","- C48 H192 Cd4 I24 N48 Zn8 -","4","0.25","GD3008","Nesterova, Oksana V.; Petrusenko, Svitlana R.; Dyakonenko, Viktoria V.; Shishkin, Oleg V.; Linert, Wolfgang","A three-dimensional framework of bis[tris(ethylenediamine)zinc] tetraiodocadmate diiodide assisted by N—H···I hydrogen bonds","Acta Crystallographica Section C","2006","62","7","m281","m283","10.1107/S0108270106017720","","","0.71073","MoKα","","0.0357","0.0272","","","0.0607","0.0619","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017296","15.2155","0.0004","15.2155","0.0004","13.5388","0.0006","90","","90","","90","","3134.39","0.18","110","2","110","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","5,10,15,20-tetra-4-pyridylporphyrin 1.514-hydrate","","- C40 H29.028 N8 O1.514 -","- C40 H29.028 N8 O1.514 -","- C160 H116.112 N32 O6.056 -","4","0.25","GD3300","Lipstman, Sophia; Goldberg, Israel","Unsolvated 5,10,15,20-tetra-4-pyridylporphyrin, its sesquihydrate and its 2-chlorophenol disolvate: conformational versatility of the ligand","Acta Crystallographica Section C","2009","65","9","o447","o452","10.1107/S0108270109030753","","","0.71073","MoKα","","0.0858","0.0513","","","0.1044","0.1151","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018539","15.6514","0.0005","15.6514","0.0005","13.06","0.0004","90","","90","","90","","3199.26","0.17","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","[5-(2-formylphenyl)-10,15,20-triphenylporphyrinato]nickel(II)","","- C45 H28 N4 Ni O -","- C45 H28 N4 Ni O -","- C180 H112 N16 Ni4 O4 -","4","0.25","FG3258","Spencer, Lara C.; Yao, Shu A.; Berry, John F.; Guzei, Ilia A.","An example of the refinement of positional disorder modeled as compositional disorder in [5-(2-formylphenyl)-10,15,20-triphenylporphyrinato]nickel(II)","Acta Crystallographica Section C","2012","68","7","m197","m199","10.1107/S010827011202642X","","","0.71073","MoKα","","0.0318","0.028","","","0.0778","0.0797","","","","","","1.156","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018918","7.4946","0.0002","7.4946","0.0002","7.5457","0.0002","90","","90","","90","","423.83","0.02","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Lithium/ammonium perchlorate","","- Cl H2.35 Li0.41 N0.59 O4 -","- Cl H2.36 Li0.41 N0.59 O4 -","- Cl4 H9.44 Li1.64 N2.36 O16 -","4","0.25","OV3020","Walha, Siwar; Bouchaala, Mahmoud; Ben Salah, Abdelhamid","The interpenetrated three-dimensional framework of a new mixed lithium/ammonium perchlorate grown in a gel medium","Acta Crystallographica Section C","2013","69","4","315","318","10.1107/S0108270113005684","","","0.71073","MoKα","","0.0378","0.0349","","","0.1343","0.1391","","","","","","1.327","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020924","11.8635","0.0003","11.8635","0.0003","11.8932","0.0004","90","","90","","90","","1673.88","0.08","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Tricaesium dilithium gallium tetrakis(tetraoxomolybdate)","","- Ga Li2 Mo4 O16 Rb3 -","- Ga Li2 Mo4 O16 Rb3 -","- Ga4 Li8 Mo16 O64 Rb12 -","4","0.25","LY3054","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Kadyrova, Yulia M.; Savina, Aleksandra A.; Stefanovich, Sergey Yu.; Khaikina, Elena G.","Cs~3~LiZn~2~(WO~4~)~4~ and Rb~3~Li~2~Ga(MoO~4~)~4~: different filled derivatives of the cation-deficient Cs~6~Zn~5~(MoO~4~)~8~ structure","Acta Crystallographica Section C","2017","73","11","946","952","10.1107/S205322961701378X","","","0.71073","MoKα","","0.0234","0.0217","","","0.056","0.0564","","","","","","1.07","","","","has coordinates,has Fobs","205315","2020-10-21","18:00:00",""
"2104742","5.2888","0.0004","5.2888","0.0004","10.4221","0.0012","90","","90","","90","","291.52","0.05","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","Chalcopyrite","- Cu Fe S2 -","- Cu Fe S2 -","- Cu4 Fe4 S8 -","4","0.25","KD5037","Elliot, Alexander Dean","Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)","Acta Crystallographica Section B","2010","66","3","271","279","10.1107/S0108768110011845","powder diffraction","","","","","","","","","","","","0.01587","","","","","","","","has coordinates","191079","2020-10-21","18:00:00",""
"2105405","11.672","","11.672","","5.698","","90","","90","","90","","776.27","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Pd B2 O4","","- B2 O4 Pd -","- B2 O4 Pd -","- B24 O48 Pd12 -","12","0.75","","Schmid, H.; Depmeier, W.","Palladium metaborate","Acta Crystallographica B (24,1968-38,1982)","1982","38","","605","606","10.1107/S0567740882003495","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106232","7.622","","7.622","","7.315","","90","","90","","90","","424.964","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Rb (H2 P O4)","","- H2 O4 P Rb -","- H2 O4 P Rb -","- H8 O16 P4 Rb4 -","4","0.25","","Al Kraghouli, A.R.; Abdul-Wahab, B.; Sequeira, A.; Ajaj, E.","A precision neutron diffraction study of tetragonal Rb H2 P O4","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1040","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106370","6.783","","6.783","","18.963","","90","","90","","90","","872.47","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Mg3 (As O4)2","","- As2 Mg3 O8 -","- As2 Mg3 O8 -","- As12 Mg18 O48 -","6","0.375","","Krishnamachari, N.; Calvo, C.","Magnesium Arsenate, Mg3 As2 O8","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2611","2613","","","","","","","","","","","","","","","","","","","","","","has coordinates","149388","2020-10-21","18:00:00",""
"2106578","7.527","","7.527","","7.444","","90","","90","","90","","421.745","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","((N H4)0.67 Tl0.33) (H2 P O4)","","- H4.68 N0.67 O4 P Tl0.33 -","- N0.67 O4 P Tl0.33 -","- N2.68 O16 P4 Tl1.32 -","4","0.25","","Pepe, G.; Oddon, Y.; Tranquard, A.","Dihydrogenoorthophosphate de thallium(I) et d'ammonium (N H4)0.67 Tl0.33 H2 P O4","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2761","2763","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107018","7.724","","7.724","","11.678","","90","","90","","90","","696.712","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Zr F4 (H2 O)","","- F4 H2 O Zr -","- F4 O Zr -","- F32 O8 Zr8 -","8","0.5","","Kojic-Prodic, B.; Gabela, F.; Ruzic Toros, Z.; Sljukic, M.","Structure of Aquatetrafluorozirconium(IV)","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1963","1965","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107193","9.5965","","9.5965","","11.7885","","90","","90","","90","","1085.64","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Na2 S4 -","- Na2 S4 -","- Na16 S32 -","8","0.5","","Tegman, R.","The crystal structure of sodium tetrasulfide, Na2 S4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1463","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107330","11.456","","11.456","","5.195","","90","","90","","90","","681.791","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","U F5","","- F5 U -","- F5 U -","- F40 U8 -","8","0.5","","Ryan, R.R.; Asprey, L.B.; Penneman, R.A.; Paine, R.T.","Single-crystal X-ray study of beta-uranium pentafluoride. The eight coordination of U","Acta Crystallographica B (24,1968-38,1982)","1976","32","","3311","3313","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107376","13.132","","13.132","","16.668","","90","","90","","90","","2874.39","","","","","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","(N H4)9 Cl2 (Ag (S2 O3)4)","","- Ag Cl2 H36 N9 O12 S8 -","- Ag Cl2 N9 O12 S8 -","- Ag4 Cl8 N36 O48 S32 -","4","0.25","","Bigoli, F.; Camellini, T.M.; Tiripicchio, A.","Crystal and molecular structure of ennea-ammonium dichloride tetrathiosulfatoargentate, (N H4)9 Cl2 (Ag (S2 O3)4)","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2079","2083","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108844","5.3282","0.0001","5.3282","","20.6725","0.0004","90","","90","","90","","586.886","0.016","293","","293","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- H8 Mg O8 Te -","- Mg O8 Te -","- Mg4 O32 Te4 -","4","0.25","","Stöger, Berthold; Krüger, Hannes; Weil, Matthias","Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006223","","x-ray","0.71073","MoKα","","0.0196","0.0166","","","0.0537","0.0581","","","","1.17","1.17","1.17","","","","has coordinates,has Fobs","267781","2021-07-28","05:20:50",""
"2201015","13.2634","0.0007","13.2634","0.0007","16.4524","0.0011","90","","90","","90","","2894.3","0.3","173","2","173","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- Ag Br2 H36 N9 O12 S8 -","- Ag Br2 H36 N9 O12 S8 -","- Ag4 Br8 H144 N36 O48 S32 -","4","0.25","BR6048","El Bali, Brahim; Sghyar, Mohamed; Lachkar, Mohammed; Rachid, Ouarsal; Aziz Alaoui, Tahiri; Bolte, Michael","Ennea-ammonium dibromide tetra(thiosulfato)argentate","Acta Crystallographica Section E","2002","58","5","i37","i38","10.1107/S1600536802007614","","","0.71073","MoKα","","0.0578","0.0577","","","0.1788","0.1789","","","","","","1.095","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201708","12.7053","0.0008","12.7053","0.0008","17.6737","0.0015","90","","90","","90","","2853","0.4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Bis(dicyclohexylammonium) tungstate dihydrate","","- C24 H52 N2 O6 W -","- C24 H52 N2 O6 W -","- C96 H208 N8 O24 W4 -","4","0.25","YA6115","Bi, Wenhua; Sun, Daofeng; Cao, Rong; Hong, Maochun","Bis(dicyclohexylammonium) tungstate dihydrate, [NH~2~(C~6~H~11~)~2~]~2~[WO~4~]·2H~2~O","Acta Crystallographica Section E","2002","58","11","m611","m612","10.1107/S1600536802017828","","","0.71073","MoKα","","0.026","0.02","","","0.043","0.046","","","","","","1.05","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2203846","6.817","0.001","6.817","0.001","19.242","0.003","90","","90","","90","","894.2","0.2","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","Na Mg4 (As O4)3","Sodium tetramagnesium tris(arsenate)","","- As3 Mg4 Na O12 -","- As3 Mg4 Na O12 -","- As12 Mg16 Na4 O48 -","4","0.25","BR6150","Anissa, Haj Abdallah; Brahim, Ayed; Amor, Haddad","NaMg~4~(AsO~4~)~3~","Acta Crystallographica, Section E","2004","60","7","i77","i79","10.1107/S1600536804012772","","","0.71073","MoKα","","0.0206","0.0181","","","0.0444","0.045","","","","","","1.097","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2208255","15.1535","0.0009","15.1535","0.0009","23.3816","0.0018","90","","90","","90","","5369.1","0.6","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Bis(tetra-n-butylammonium) tetrabromocadmate(II) toluene disolvate","","- C46 H88 Br4 Cd N2 -","- C46 H88 Br4 Cd N2 -","- C184 H352 Br16 Cd4 N8 -","4","0.25","BR6225","Kropidłowska, Anna; Chojnacki, Jarosław; Becker, Barbara","Bis(tetra-<i>n</i>-butylammonium) tetrabromocadmate(II) toluene disolvate","Acta Crystallographica Section E","2006","62","3","m457","m459","10.1107/S1600536806003916","","","0.71073","MoKα","","0.0427","0.0407","","","0.0934","0.0952","","","","","","1.086","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2212603","24.566","0.004","24.566","0.004","7.7555","0.0012","90","","90","","90","","4680.4","1.3","294","2","294","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","[2,5-DBrpyH]2.SnBr6","2,5-Dibromopyridinium hexabromidostannate(IV)","","- C10 H8 Br10 N2 Sn -","- C10 H8 Br10 N2 Sn -","- C80 H64 Br80 N16 Sn8 -","8","0.5","HK2204","Ali, Basem Fares; Al-Far, Rawhi","2,5-Dibromopyridinium hexabromidostannate(IV)","Acta Crystallographica Section E","2007","63","3","m892","m894","10.1107/S1600536807008069","","","0.7107","MoKα","","0.0395","0.0394","","","0.0478","0.0479","","","","","","1.213","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216461","14.785","0.0004","14.785","0.0004","17.7221","0.0009","90","","90","","90","","3874","0.2","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Tris(1,2-ethanediamine-κ^2^N,N')cobalt(II) triiodide iodide","","- C6 H24 Co I4 N6 -","- C6 H24 Co I4 N6 -","- C48 H192 Co8 I32 N48 -","8","0.5","GK2101","Du, Jun-Min; Zhang, Zhang-Jin; Lin, Hong-Mei; Li, Wei; Guo, Guo-Cong","Tris(1,2-ethanediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) triiodide iodide","Acta Crystallographica Section E","2007","63","12","m3206","m3206","10.1107/S1600536807059971","","","0.71073","MoKα","","0.0172","0.0172","","","0.0442","0.0443","","","","","","0.975","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217292","15.426","0.005","15.426","0.005","13.991","0.005","90","","90","","90","","3329.3","1.9","233","2","233","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","5,10,15,20-Tetrakis(3,5-difluorophenyl)porphyrin","","- C44 H22 F8 N4 -","- C44 H22 F8 N4 -","- C176 H88 F32 N16 -","4","0.25","SI2056","P. Bhyrappa; V. Velkannan; B. Varghese","5,10,15,20-Tetrakis(3,5-difluorophenyl)porphyrin","Acta Crystallographica Section E","2008","64","1","o190","o190","10.1107/S1600536807062782","","","0.71073","MoKα","","0.0399","0.0358","","","0.0946","0.0976","","","","","","1.066","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2222097","14.3201","0.0004","14.3201","0.0004","37.73","0.002","90","","90","","90","","7737.1","0.5","170","2","170","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Tetrabenzoatotetrakis(μ~3~-hydroxydi-2-pyridylmethanolato)tetrazinc(II)‒ acetone‒methanol (1/2/1)","","- C316 H288 N32 O76 Zn16 -","- C316 H288 N32 O76 Zn16 -","- C316 H288 N32 O76 Zn16 -","1","0.0625","LH2815","Shin, Dong Hoon; Han, Sim-Hee; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee","A neutral cubane with a Zn^II^~4~O~4~ core: tetrabenzoatotetrakis(μ~3~-hydroxydi-2-pyridylmethanolato)tetrazinc(II)‒acetone‒methanol (1/2/1)","Acta Crystallographica Section E","2009","65","6","m658","m659","10.1107/S1600536809017772","","","0.71073","MoKα","","0.0374","0.0341","","","0.1084","0.1098","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225793","16.5302","0.0006","16.5302","0.0006","29.875","0.002","90","","90","","90","","8163.3","0.7","291","2","291","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","tetrakis[μ~3~-(2-pyridyl)methanolato]tetrakis[bromido(methanol)cobalt(III)] tetrabromide 2-(hydroxymethyl)pyridine tetrasolvate dihydrate","","- C52 H72 Br8 Co4 N8 O14 -","- C52 H72 Br8 Co4 N8 O14 -","- C208 H288 Br32 Co16 N32 O56 -","4","0.25","BX2274","Wang, Fang-Ming; Lu, Chang-Sheng; Li, Yi-Zhi; Meng, Qing-Jin","A tetranuclear cobalt(III) cluster with 2-(hydroxymethyl)pyridine ligands","Acta Crystallographica Section E","2010","66","5","m594","","10.1107/S1600536810015369","","","0.71073","MoKα","","0.0666","0.0516","","","0.1096","0.1128","","","","","","0.99","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228872","15.9477","0.0003","15.9477","0.0003","13.2461","0.0003","90","","90","","90","","3368.87","0.12","290","1","290","1","","","","","","","","4","I -4 2 d","I -4 2bw","122","","caesium niobium phosphorus hexasulfide","","- Cs0.49 Nb P S6 -","- Cs0.487 Nb P S6 -","- Cs7.792 Nb16 P16 S96 -","16","1","SI2311","Lee, Eunsil; Lee, Yonghee; Yun, Hoseop","Cs~0.49~NbPS~6~","Acta Crystallographica Section E","2011","67","1","i4","","10.1107/S1600536810052724","","","0.71073","MoKα","","","0.0195","","","","0.0473","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2238772","7.7865","0.0009","7.7865","0.0009","7.466","0.002","90","","90","","90","","452.66","0.14","295","","295","","","","","","","","","4","I -4 2 d","I -4 2bw","122","rubidium dihydrogen arsenate(V)","Rubidium dihydrogenarsenate","","- As H2 O4 Rb -","- As H2 O4 Rb -","- As4 H8 O16 Rb4 -","4","0.25","PK2499","Stöger, Berthold","RbH~2~AsO~4~","Acta Crystallographica Section E","2013","69","11","i73","i74","10.1107/S1600536813026676","","","0.71073","MoKα","","0.0459","0.0254","","","0.0288","0.0317","","","","","","1.25","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239371","12.437","0.003","12.437","0.003","17.29","0.004","90","","90","","90","","2674.4","1.1","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Bis(dicyclohexylammonium) sulfate dihydrate","","- C24 H52 N2 O6 S -","- C24 H52 N2 O6 S -","- C96 H208 N8 O24 S4 -","4","0.25","","Ndoye, Daouda; Sow, Mouhamadou M.; Diop, Libasse","Bis(dicyclohexylammonium) sulfate dihydrate","Acta Crystallographica Section E","2014","70","3","o237","","10.1107/S1600536814000968","","","0.71073","MoKα","","0.0278","0.0257","","","0.072","0.0745","","","","","","1.158","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239792","10.1746","0.0003","10.1746","0.0003","29.5107","0.0011","90","","90","","90","","3055.02","0.17","100","2","100","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","Nickel tetrathiocyanatomercurate(II) methanol disolvate","<i>catena</i>-Poly[[bis(methanol-κ<i>O</i>)nickel(II)]-di-μ-thiocyanato-κ^4^<i>N</i>:<i>S</i>-mercurate(II)-di-μ-thiocyanato-κ^4^<i>N</i>:<i>S</i>]","","- C6 H8 Hg N4 Ni O2 S4 -","- C6 H8 Hg N4 Ni O2 S4 -","- C48 H64 Hg8 N32 Ni8 O16 S32 -","8","0.5","HB0003","Weil, Matthias; Häusler, Thomas","Crystal structure of [NiHg(SCN)~4~(CH~3~OH)~2~]~<i>n~</i>","Acta Crystallographica Section E","2014","70","8","48","50","10.1107/S1600536814009532","","","0.71073","MoKα","","0.0328","0.0263","","","0.0493","0.0505","","","","","","0.96","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239989","26.173","0.004","26.173","0.004","12.434","0.003","90","","90","","90","","8518","3","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","2-(1,3,7,9-Tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-<i>d</i>:6,5-<i>d</i>']dipyrimidin-5-yl)benzamide <i>N</i>,<i>N</i>-dimethylformamide hemisolvate","","- C43 H43 N13 O11 -","- C43 H43 N13 O11 -","- C344 H344 N104 O88 -","8","0.5","HB7283","Ayvazyan, Armen","Crystal structure of 2-(1,3,7,9-tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-<i>d</i>:6,5-<i>d</i>']dipyrimidin-5-yl)benzamide dimethylformamide hemisolvate","Acta Crystallographica Section E","2014","70","10","213","215","10.1107/S1600536814020200","","","0.71073","MoKα","","0.1277","0.0557","","","0.1088","0.1353","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2241204","4.6135","0.0002","4.6135","0.0002","6.9991","0.0005","90","","90","","90","","148.972","0.014","293","2","293","","","","","","","","","3","I -4 2 d","I -4 2bw","122","Phosphorus oxonitride","Phosphorus oxonitride","","- N O P -","- N O P -","- N4 O4 P4 -","4","0.25","","Bykov, Maxim; Bykova, Elena; Dyadkin, Vadim; Baumann, Dominik; Schnick, Wolfgang; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data","Acta Crystallographica Section E","2015","71","11","1325","1327","10.1107/S205698901501899X","","","0.71069","MoKα","","0.0159","0.0159","","","0.0429","0.0429","","","","","","1.453","","","","has coordinates,has Fobs","167931","2020-10-21","18:00:00",""
"2241439","18.7857","0.0014","18.7857","0.0014","13.8572","0.0012","90","","90","","90","","4890.2","0.7","120","2","120","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","Tris(<i>trans</i>-1,2-diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>')cobalt(III) trichloride monohydrate","","- C18 H44 Cl3 Co N6 O -","- C18 H44 Cl3 Co N6 O -","- C144 H352 Cl24 Co8 N48 O8 -","8","0.5","LH5797","Gallagher, Megan K.; Oliver, Allen G.; Lappin, A. Graham","Crystal structure of tris(<i>trans</i>-1,2-diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>')cobalt(III) trichloride monohydrate","Acta Crystallographica Section E","2016","72","1","49","52","10.1107/S2056989015023683","","","0.71073","MoKα","","0.0541","0.0471","","","0.1257","0.1297","","","","","","1.061","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2300257","8.15","","8.15","","4","","90","","90","","90","","265.69","","","","","","","","","","","","","1","I -4 2 d","","","","","","- D -","- D -","- D8 -","8","0.5","","Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.","Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa","Journal of Applied Crystallography","2009","42","5","846","866","10.1107/S0021889809027897","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300391","10.467","0.0009","10.467","0.0009","8.922","0.0006","90","","90","","90","","977.48","0.14","295","2","295","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","CLBO","CLBO","","- B12 Cs2 Li2 O20 -","- B12 Cs2 Li2 O20 -","- B24 Cs4 Li4 O40 -","2","0.125","","Herreros-Cedrés, Javier; Hernández-Rodriguez, Cecilio; Kaminsky, Werner","Absolute optical rotation of CsLiB6O10","Journal of Applied Crystallography","2005","38","3","544","","10.1107/S0021889805009908","","","0.7107","MoKα","","0.0563","0.0546","","","0.1427","0.1437","","","","","","1.242","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310427","5.531","","5.531","","65.311","","90","","90","","90","","1997.99","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Mn15 Si26 -","- Mn15 Si26 -","- Mn60 Si104 -","4","0.25","","Knott, H.W.; Mueller, M.H.; Heaton, L.","The crystal structure of Mn15 Si26","Acta Crystallographica (1,1948-23,1967)","1967","23","","549","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310573","14","","14","","10.81","","90","","90","","90","","2118.76","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","P (C N)3","","- C3 N3 P -","- C3 N3 P -","- C48 N48 P16 -","16","1","","Emerson, K.; Britton, D.","The crystal and molecular structure of phosphorus tricyanide","Acta Crystallographica (1,1948-23,1967)","1964","17","","1134","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310649","5.46","","5.46","","10.76","","90","","90","","90","","320.773","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Zn Ge P2","","- Ge P2 Zn -","- Ge P2 Zn -","- Ge4 P8 Zn4 -","4","0.25","","Pfister, H.","Kristallstruktur von ternaeren Verbindungen der Art A(II) B(IV) C(III)2","Acta Crystallographica (1,1948-23,1967)","1958","11","","221","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310650","5.67","","5.67","","11.15","","90","","90","","90","","358.46","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Zn Ge As2","","- As2 Ge Zn -","- As2 Ge Zn -","- As8 Ge4 Zn4 -","4","0.25","","Pfister, H.","Kristallstruktur von ternaeren Verbindungen der Art A(II) B(IV) C(III)2","Acta Crystallographica (1,1948-23,1967)","1958","11","","221","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310651","5.851","","5.851","","11.702","","90","","90","","90","","400.609","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Zn Sn As2","","- As2 Sn Zn -","- As2 Sn Zn -","- As8 Sn4 Zn4 -","4","0.25","","Pfister, H.","Kristallstruktur von Zn Sn As2","Acta Crystallographica (1,1948-23,1967)","1963","16","","153","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310653","6.04","","6.04","","7.78","","90","","90","","90","","283.827","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Cu Cr2 O4","","- Cr2 Cu O4 -","- Cr2 Cu O4 -","- Cr8 Cu4 O16 -","4","0.25","","Prince, E.","Crystal and magnetic structure of copper chromite","Acta Crystallographica (1,1948-23,1967)","1957","10","","554","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000241","7.0124","","7.0124","","6.4193","","90","","90","","90","","315.661","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","","Zn2SiO4","","Zn2SiO4 phase II","- O4 Si Zn2 -","","","","","","Kanzaki, M.","High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 II structure at 0 K)","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","215377","2020-10-21","18:00:00","2020-04-22"
"3000294","6.427","0.0001","6.427","0.0001","22.8086","0.0005","90","","90","","90","","942.14","0.03","299","2","299","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cd Na2 Sn5 -","- Cd Na2 Sn5 -","- Cd4 Na8 Sn20 -","4","0.25","","Asamiya, Yuki; Yamada, Takahiro; Yamane, Hisanori","Synthesis and characterization of NaCd0.92Sn1.08, Na(Cd0.28Sn0.72)2, and Na2CdSn5 with three-dimensional Cd?Sn frameworks","Inorganics","2021","9","","19","","10.3390/inorganics9030019","","","0.71073","MoKα","","0.0228","0.0197","","","0.0325","0.0334","","","","","","1.277","","","","has coordinates","262850","2021-03-08","09:20:40",""
"4001409","16.0829","0.0008","16.0829","0.0008","29.805","0.002","90","","90","","90","","7709.4","0.7","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C4 H18.5 N2.5 O13.5 P3 Zn2.5 -","- C2 H3 N1.996 O13 P3 Zn2.5 -","- C32 H48 N31.936 O208 P48 Zn40 -","16","1","","Chang, Wen-Ming; Cheng, Ming-Yu; Liao, Yueh-Chun; Chang, Ming-Chung; Wang, Sue-Lein","Template Effect of Chain-Type Polyamines on Pore Augmentation: Five Open-Framework Zinc Phosphates with 16-Ring Channels","Chemistry of Materials","2007","19","25","6114","","10.1021/cm071462f","","","0.71073","MoKα","","0.0543","0.0488","","","0.1459","0.1489","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002699","6.341","0.0005","6.341","0.0005","22.3947","0.0018","90","","90","","90","","900.45","0.12","300","2","300","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Na2 Sn5 Zn -","- Na2 Sn5 Zn -","- Na8 Sn20 Zn4 -","4","0.25","","Kanno, Masahiro; Yamada, Takahiro; Ikeda, Takuji; Nagai, Hideaki; Yamane, Hisanori","Thermoelectric Properties of Na2ZnSn5 Dimorphs with Na Atoms Disordered in Tunnels","Chemistry of Materials","2017","29","2","859","","10.1021/acs.chemmater.6b04896","","","0.71073","MoKα","","0.0149","0.0131","","","0.0216","0.0219","","","","","","1.192","","","","has coordinates","191332","2020-10-21","18:00:00",""
"4003913","33.4671","0.0002","33.4671","0.0002","21.4175","0.0002","90","","90","","90","","23988.6","0.3","296","2","296","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C126 H102 Co7 O30 -","- C126 H102 Co7 O30 -","- C1008 H816 Co56 O240 -","8","0.5","","Kang, Jaeun; Lee, Myung Jun; Oh, Nam Gue; Shin, Jiehye; Kwon, Seong Jung; Chun, Hyungphil; Kim, Seung-Joo; Yun, Hoseop; Jo, Hongil; Ok, Kang Min; Do, Junghwan","I3O0-Type 3D Framework of Cobalt Cinnamate and Its Efficient Electrocatalytic Activity toward the Oxygen Evolution Reaction","Chemistry of Materials","2021","33","8","2804","2813","10.1021/acs.chemmater.0c04785","","","0.71073","MoKα","","0.0395","0.0291","","","0.0574","0.0611","","","","","","1.024","","","","has coordinates,has disorder","264818","2021-05-04","00:49:06",""
"4031806","9.643","","9.643","","8.88","","90","","90","","90","","825.729","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Hg (C N)2","","- C2 Hg N2 -","- C2 Hg N2 -","- C16 Hg8 N16 -","8","0.5","","Seccombe, R.C.; Kennard, C.H.L.","The stereochemistry of organomercury compounds II. A redetermination of the structure of mercury(II) cyanide by neutron diffraction","Journal of Organometallic Chemistry","1969","18","","243","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4034285","19.4948","0.001","19.4948","0.001","35.68","0.004","90","","90","","90","","13560.1","1.8","120","2","120","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C54 H74 Cl6 F N5 O4 -","- C54 H74 Cl6 F N5 O4 -","- C432 H592 Cl48 F8 N40 O32 -","8","0.5","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","1.54184","CuKα","","0.0745","0.0686","","","0.1958","0.2066","","","","","","1.051","","","","has coordinates,has disorder","222828","2020-10-21","18:00:00",""
"4037596","16.1709","0.0011","16.1709","0.0011","53.531","0.004","90","","90","","90","","13998.2","1.7","90","","90","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C50 H36 Cl6 F12 N4 -","- C50 H36 Cl6 F12 N4 -","- C600 H432 Cl72 F144 N48 -","12","0.75","","Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko","Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02386","","","0.71073","MoKα","","0.072","0.0627","","","0.1583","0.167","","","","","","1.036","","","","has coordinates,has disorder","242390","2020-10-21","18:00:00",""
"4038950","16.3407","0.0003","16.3407","0.0003","19.0557","0.0004","90","","90","","90","","5088.22","0.17","100","","100","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27]nonacosa -2,4,7,9,12,14,17,19,21,23,26,28-dodecaene dimethyl sulfoxide solvate","","- C20 H8 N6 S3 -","- C20 H8 N6 S3 -","- C160 H64 N48 S24 -","8","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0377","0.036","","","0.1051","0.1066","","","","","","1.106","","","","has coordinates","260369","2021-01-02","15:13:02",""
"4060687","23.296","0.007","23.296","0.007","14.964","0.004","90","","90","","90","","8121","4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C38 H62 N4 Si2 Yb -","- C38 H62 N4 Si2 Yb -","- C304 H496 N32 Si16 Yb8 -","8","0.5","","Toshiyuki Oshiki","Preparation, Structural Characterization, and Reactions of Tantalum-Alkyne Complexes","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4067583","30.368","0.008","30.368","0.008","9.2873","0.0004","90","","90","","90","","8565","3","208","2","208","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C66 H76 F18 N12 O10 P3 Rh4 -","- C66 H76 F18 N12 O10 P3 Rh4 -","- C264 H304 F72 N48 O40 P12 Rh16 -","4","0.25","","Dzik, Wojciech I.; Creusen, Charlotte; de Gelder, René; Peters, Theo P. J.; Smits, Jan M. M.; de Bruin, Bas","Carbonyl Complexes of Rhodium with N-Donor Ligands: Factors Determining the Formation of Terminal versus Bridging Carbonyls","Organometallics","2010","29","7","1629","","10.1021/om901023n","","","0.71073","MoKα","","0.0883","0.0877","","0.2187","0.2183","0.2187","","","1.231","","","1.231","","","","has coordinates","264242","2021-04-16","08:49:34",""
"4070931","17.399","0.003","17.399","0.003","19.3","0.004","90","","90","","90","","5842.6","1.9","120","2","120","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","Compound 5","","","- C34 H18 F10 N2 Zn -","- C34 H18 F10 N2 Zn -","- C272 H144 F80 N16 Zn8 -","8","0.5","","Martin, Eddy; Spendley, Claire; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Lancaster, Simon J.","Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl‒Aryl Interactions versus Homoaromatic Pairing","Organometallics","2008","27","7","1436","","10.1021/om701127p","","","0.71073","MoKα","","0.0505","0.036","","","0.0651","0.0685","","","","","","1.025","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070932","17.2349","0.0003","17.2349","0.0003","19.0106","0.0005","90","","90","","90","","5646.9","0.2","140","1","140","1","","","","","","","","5","I -4 2 d","I -4 2bw","122","Compound 6","","","- C30 H16 F10 N4 Zn -","- C30 H16 F10 N4 Zn -","- C240 H128 F80 N32 Zn8 -","8","0.5","","Martin, Eddy; Spendley, Claire; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Lancaster, Simon J.","Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl‒Aryl Interactions versus Homoaromatic Pairing","Organometallics","2008","27","7","1436","","10.1021/om701127p","","","0.71073","MoKα","","0.0428","0.0292","","","0.0444","0.0496","","","","","","1.058","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4088409","13.3769","0.0004","13.3769","0.0004","25.1645","0.0009","90","","90","","90","","4503","0.2","100","2","99.99","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C16 H22 Ni3 S4 -","- C16 H22 Ni3 S4 -","- C128 H176 Ni24 S32 -","8","0.5","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0309","0.0249","","","0.0571","0.0592","","","","","","1.056","","","","has coordinates","237551","2020-10-21","18:00:00",""
"4088668","27.4917","0.0008","27.4917","0.0008","11.728","0.0005","90","","90","","90","","8863.9","0.5","100","","100","","","","","","","","","4","I -4 2 d","I -4 2bw","122","Co(H)(CNArMes2)4","hydridotetrakis(2,6-dimesitylphenylioscyanide)cobalt","","- C112 H128 Co N4 -","- C112 H128 Co N4 -","- C448 H512 Co4 N16 -","4","0.25","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","1.54178","CuKα","","0.0439","0.0369","","","0.0923","0.0956","","","","","","1.042","","","","has coordinates,has disorder","237758","2020-10-21","18:00:00",""
"4100191","16.994","0.007","16.994","0.007","37.344","0.006","90","","90","","90","","10785","7","220","2","220","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C34 H36 O12 Si -","- C24 H20 O8 Si -","- C288 H240 O96 Si12 -","12","0.75","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100192","17.3347","0.0008","17.3347","0.0008","36.855","0.003","90","","90","","90","","11074.8","1.1","220","2","220","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C24 H20 O8 Si -","- C24 H20 O8 Si -","- C480 H400 O160 Si20 -","20","1.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100194","17.05","0.005","17.05","0.005","37.082","0.009","90","","90","","90","","10780","5","220","2","220","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C34.66667 H41.33333 O13.33333 Si -","- C24 H20 O8 Si -","- C288 H240 O96 Si12 -","12","0.75","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100864","23.8123","0.0008","23.8123","0.0008","20.0571","0.0013","90","","90","","90","","11372.9","0.9","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C27 H30 Cl2 F36 O12 P6 Rh2 -","- C27 H30 Cl2 F36 O12 P6 Rh2 -","- C216 H240 Cl16 F288 O96 P48 Rh16 -","8","0.5","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100871","12.9064","0.0004","12.9064","0.0004","30.2416","0.0015","90","","90","","90","","5037.5","0.3","293","2","130","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H29 Co3 K O24 -","- C12 H8 Co3 K O24 -","- C96 H64 Co24 K8 O192 -","8","0.5","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4105292","5.7937","0.0025","5.7937","","11.554","0.008","90","","90","","90","","387.8","0.3","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu In Se2 -","- Cu In Se2 -","- Cu4 In4 Se8 -","4","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.2789","","8.68","","","","","","","has coordinates,has Fobs","178798","2020-10-21","18:00:00",""
"4105294","5.7852","0.0013","5.7852","","11.5964","0.0016","90","","90","","90","","388.11","0.1","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu In Se2 -","- Cu In Se2 -","- Cu4 In4 Se8 -","4","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.26008","","14.14","","","","","","","has coordinates,has Fobs","178798","2020-10-21","18:00:00",""
"4105347","5.7876","0.001","5.7876","","11.6045","0.0014","90","","90","","90","","388.71","0.08","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu In Se2 -","- Cu In Se2 -","- Cu4 In4 Se8 -","4","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.05031","","8.35","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4106205","15.122","0.002","15.122","0.002","13.83","0.004","90","","90","","90","","3162.6","1.1","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C44 H32 N4 O -","- C44 H32 N4 O -","- C176 H128 N16 O4 -","4","0.25","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0557","0.0367","","","0.078","0.0844","","","","","","1.03","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106211","14.9159","0.0014","14.9159","0.0014","14.128","0.003","90","","90","","90","","3143.3","0.8","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C44 H30 N4 Ni O -","- C44 H30 N4 Ni O -","- C176 H120 N16 Ni4 O4 -","4","0.25","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0362","0.0288","","","0.0629","0.0657","","","","","","1.027","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106293","42.093","0.006","42.093","0.006","16.69","0.003","90","","90","","90","","29572","8","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ga16 Se33 Zn4 -","- Ga16 Se33 Zn4 -","- Ga128 Se264 Zn32 -","8","0.5","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1317","0.0909","","","0.2883","0.3501","","","","","","1.128","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106742","12.3331","0.0007","12.3331","0.0007","43.691","0.003","90","","90","","90","","6645.6","0.7","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","(DIMes^Me)(AuCl)2","","","- C25 H28 Au2 Cl2 N4 -","- C25 H28 Au2 Cl2 N4 -","- C200 H224 Au16 Cl16 N32 -","8","0.5","","Ekaterina Tkatchouk; Neal P. Mankad; Diego Benitez; William A. Goddard; F. Dean Toste","Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes","Journal of the American Chemical Society","2011","133","","14293","14300","10.1021/ja2012627","","","0.71073","MoKα","","0.0659","0.0636","","","0.1901","0.1918","","","","","","1.662","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4107116","13.3664","0.0007","13.3664","0.0007","39.316","0.004","90","","90","","90","","7024.2","0.9","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","FMOF-1,2toluene","","","- C38 H16 Ag6 F36 N18 -","- C38 H16 Ag6 F36 N18 -","- C152 H64 Ag24 F144 N72 -","4","0.25","","Chi Yang; Ushasree Kaipa; Qian Zhang Mather; Xiaoping Wang; Vladimir Nesterov; Augustin F. Venero; Mohammad A. Omary","Fluorous Metal-Organic Frameworks with Superior Adsorption and Hydrophobic Properties toward Oil Spill Cleanup and Hydrocarbon Storage","Journal of the American Chemical Society","2011","133","","18094","18097","10.1021/ja208408n","","","0.71073","MoKα","","0.0621","0.046","","","0.1261","0.1558","","","","","","1.097","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107311","27.1756","0.0008","27.1756","0.0008","81.019","0.003","90","","90","","90","","59834","3","123","2","123","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C90 H108 Ag18 N36 -","- C90 H108 Ag18 N36 -","- C1440 H1728 Ag288 N576 -","16","1","","Jie-Peng Zhang; Susumu Kitagawa","Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate","Journal of the American Chemical Society","2008","130","","907","917","10.1021/ja075408b","","","0.71073","MoKα","","0.1741","0.1664","","","0.3831","0.387","","","","","","1.441","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4110300","13.4273","0.0007","13.4273","0.0007","39.175","0.004","90","","90","","90","","7063","0.9","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C24 Ag6 F36 N18 -","- C24 Ag6 F36 N18 -","- C96 Ag24 F144 N72 -","4","0.25","","Chi Yang; Xiaoping Wang; Mohammad A. Omary","Fluorous Metal-Organic Frameworks for High-Density Gas Adsorption","Journal of the American Chemical Society","2007","129","","15454","15455","10.1021/ja0775265","","","0.71073","MoKα","","0.0768","0.0554","","","0.1417","0.1785","","","","","","1.196","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4111181","17.512","0.0005","17.512","0.0005","28.1203","0.0012","90","","90","","90","","8623.7","0.5","200","2","200","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C42 H52 F5 N Ni P2 -","- C42 H52 F5 N Ni P2 -","- C336 H416 F40 N8 Ni8 P16 -","8","0.5","","Lan-Chang Liang; Pin-Shu Chien; Yu-Lun Huang","Intermolecular Arene C-H Activation by Nickel(II)","Journal of the American Chemical Society","2006","128","","15562","15563","10.1021/ja065505p","","","0.71073","MoKα","","0.0776","0.065","","","0.1793","0.1949","","","","","","0.828","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111402","9.2329","0.0012","9.2329","0.0012","9.3868","0.0009","90","","90","","90","","800.19","0.17","295","2","295","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C H K N2 O2 -","- C H K N2 O2 -","- C8 H8 K8 N16 O16 -","8","0.5","","Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand","Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding","Journal of the American Chemical Society","2005","127","","1360","1361","10.1021/ja042877u","","","0.71073","MoKα","","0.0167","0.015","","0.0351","0.0335","","","","1.065","1.039","1.039","","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4115117","20.183","0.0004","20.183","0.0004","4.459","0.0001","90","","90","","90","","1816.39","0.07","200","2","200","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C6 H6 Te2 -","- C7 H6 Te2 -","- C56 H48 Te16 -","8","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Nanotube Formation Favored by Chalcogen-Chalcogen Interactions","Journal of the American Chemical Society","2002","124","","10638","10639","10.1021/ja027146d","","","0.71073","MoKα","","0.0777","0.0454","","","0.0976","0.1176","","","","","","1.091","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4119498","13.6253","0.0016","13.6253","0.0016","7.6476","0.0009","90","","90","","90","","1419.8","0.3","223","2","273","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C2 Ca0.5 Cl0.25 O2.25 -","- C2 Ca0.5 Cl0.25 O2.25 -","- C32 Ca8 Cl4 O36 -","16","1","","Satoshi Horike; Yusuke Kamitsubo; Munehiro Inukai; Tomohiro Fukushima; Daiki Umeyama; Tomoya Itakura; Susumu Kitagawa","Postsynthesis Modification of a Porous Coordination Polymer by LiCl To Enhance H+ Transport","Journal of the American Chemical Society","2013","135","","4612","4615","10.1021/ja3122872","","","0.71075","MoKα","","0.0828","0.0821","","","0.2565","0.2579","","","","","","1.179","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120135","6.336","0.001","6.336","0.001","22.382","0.001","90","","90","","90","","898.5","0.2","298","","150","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Na2 Sn5 Zn -","- Na2 Sn5 Zn -","- Na8 Sn20 Zn4 -","4","0.25","","Saskia Stegmaier; Sung-Jin Kim; Alexander Henze; Thomas F. Fässler","Tetrahedral Framework Structures: Polymorphic Phase Transition with Reorientation of Hexagonal Helical Channels in the Zintl Compound Na~2~ZnSn~5~ and its Relation to Na~5~Zn~2+<i>x</i>~Sn~10-<i>x</i>~","Journal of the American Chemical Society","2013","135","","10654","10663","10.1021/ja401043b","","x-ray","0.71073","MoKα","","0.0355","0.0322","","","0.0768","0.0779","","","","","","1.057","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120590","12.2871","0.0002","12.2871","0.0002","46.554","0.0012","90","","90","","90","","7028.4","0.2","100","","100","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H16 Cu4 N4 O8 -","- C12 H16 Cu4 N4 O8 -","- C192 H256 Cu64 N64 O128 -","16","1","","Do, Hien-Quang; Bachman, Shoshana; Bissember, Alex C.; Peters, Jonas C.; Fu, Gregory C.","Photoinduced, copper-catalyzed alkylation of amides with unactivated secondary alkyl halides at room temperature.","Journal of the American Chemical Society","2014","136","5","2162","2167","10.1021/ja4126609","","","0.71073","MoKα","","0.0464","0.0332","","","0.0636","0.0677","","","","","","1.026","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4121095","30.17","","30.17","","7.281","","90","","90","","90","","6627.38","","89","2","89","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","COF-320","","","- C53 H36 N4 -","- C53 H36 N4 -","- C212 H144 N16 -","4","0.25","","Yue-Biao Zhang; Jie Su; Hiroyasu Furukawa; Yifeng Yun; Felipe Gándara; Adam Duong; Xiaodong Zou; Omar M. Yaghi","Single-Crystal Structure of a Covalent Organic Framework","Journal of the American Chemical Society","2013","135","","16336","16339","10.1021/ja409033p","","","0.0251","Electrons","","0.3821","0.31","","","0.6386","0.6677","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123671","11.2152","0.0002","11.2152","0.0002","19.1197","0.0007","90","","90","","90","","2404.89","0.11","296","2","296","2","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Ge8 S16 -","- Ge8 S16 -","- Ge16 S32 -","2","0.125","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.0997","0.0485","","","0.126","0.1477","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123716","7.9004","0.0003","7.9004","0.0003","36.988","0.002","90","","90","","90","","2308.65","0.18","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","isopropylammonium_Germanium_iodide","","","- C3 H10 Ge I3 N -","- C3 Ge I3 N -","- C24 Ge8 I24 N8 -","8","0.5","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.1018","0.0825","","","0.1439","0.1526","","","","","","1.254","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123974","42.122","","42.122","","16.703","","90","","90","","90","","29635.5","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Cd4 In16 S33) ((C5 H9 N H)2 (C H2)3)","","- Cd4 In16 S33 -","- Cd4 In16 S33 -","- Cd32 In128 S264 -","8","0.5","","Wang, C.; Li, Y.-Q.; Bu Xianhui; Zheng, N.-F.; Feng, P.-Y.; Zivkovic, O.; Yang, C.-S.","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M= Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148193","2020-10-21","18:00:00",""
"4123975","41.811","","41.811","","16.685","","90","","90","","90","","29168","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Zn4 In16 S33) ((C5 H9 N H)2 (C H2)3)","","- In16 S33 Zn4 -","- In16 S33 Zn4 -","- In128 S264 Zn32 -","8","0.5","","Wang, C.; Li, Y.-Q.; Bu Xianhui; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S.; Feng, P.-Y.","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148194","2020-10-21","18:00:00",""
"4123976","41.698","","41.698","","16.673","","90","","90","","90","","28989.7","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Co4 In16 S33) ((C5 H9 N H)2 (C H2)3)","","- Co4 In16 S33 -","- Co4 In16 S33 -","- Co32 In128 S264 -","8","0.5","","Wang, C.; Li, Y.-Q.; Bu Xianhui; Feng, P.-Y.; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S.","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148195","2020-10-21","18:00:00",""
"4124091","13.7026","","13.7026","","6.56","","90","","90","","90","","1231.71","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","K8.32 Ga8.2 Si11.8 O40 (H2 O)9.8","","- Ga8.2 H19.6 K8.32 O49.8 Si11.8 -","- Ga8.2 K8.32 O49.84 Si11.8 -","- Ga8.2 K8.32 O49.84 Si11.8 -","1","0.0625","","Lee Yongjae; Kim Sun Jin; Celestian, A.J.; Bull, I.; Parise, J.B.; Kao Chichang; Vogt, T.","Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite","Journal of the American Chemical Society","2007","129","","13744","13748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124092","13.6873","","13.6873","","6.5445","","90","","90","","90","","1226.06","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","K8.08 Ga8.2 Si11.8 O40 (H2 O)8.6","","- Ga8.2 H17.2 K8.08 O48.6 Si11.8 -","- Ga8.2 K8.08 O48.56 Si11.8 -","- Ga8.2 K8.08 O48.56 Si11.8 -","1","0.0625","","Lee Yongjae; Vogt, T.; Bull, I.; Celestian, A.J.; Kim Sun Jin; Parise, J.B.; Kao Chichang","Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite","Journal of the American Chemical Society","2007","129","","13744","13748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124093","12.7372","","12.7372","","6.563","","90","","90","","90","","1064.76","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K7.36 Ga8.2 Si11.8 O40","","- Ga8.2 K7.36 O40 Si11.8 -","- Ga8.2 K7.36 O40 Si11.8 -","- Ga8.2 K7.36 O40 Si11.8 -","1","0.0625","","Lee Yongjae; Kim Sun Jin; Celestian, A.J.; Bull, I.; Parise, J.B.; Kao Chichang; Vogt, T.","Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite","Journal of the American Chemical Society","2007","129","","13744","13748","","","","","","","","","","","","","","","","","","","","","","has coordinates","151233","2020-10-21","18:00:00",""
"4130170","18.76","0.005","18.76","0.005","17.999","0.005","90","0.005","90","0.005","90","0.005","6335","3","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C36 H44 N22 O12 S2 Zn5 -","- C36 H32 N22 O12 S2 Zn5 -","- C144 H128 N88 O48 S8 Zn20 -","4","0.25","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.0667","0.0638","","","0.1881","0.1913","","","","","","1.033","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4134394","40.908","0.011","40.908","0.011","28.479","0.008","90","","90","","90","","47659","2","90","2","90","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C713.58 H804.32 N114.89 O350.35 Pd24 -","- C713.576 H804.32 N114.888 O350.346 Pd23.992 -","- C1427.15 H1608.64 N229.776 O700.693 Pd47.984 -","2","0.125","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","0.71073","MoKα","","0.1422","0.0858","","","0.2218","0.2719","","","","","","1.013","","","","has coordinates,has disorder","250083","2020-10-21","18:00:00",""
"4134431","20.5323","0.0006","20.5323","0.0006","41.7019","0.0017","90","","90","","90","","17580.5","1","120","2","120","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C144 H108 B6 F24 N28 Zn4 -","- C144 H108 B6 F24 N28 Zn4 -","- C576 H432 B24 F96 N112 Zn16 -","4","0.25","","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","","0.0708","0.069","","","0.2097","0.2122","","","","","","1.054","","","","has coordinates","250084","2020-10-21","18:00:00",""
"4300126","12.7822","0.0001","12.7822","0.0001","27.3827","0.0003","90","","90","","90","","4473.91","0.07","213","2","213","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","[MoO(S2C2Me2)2](Et4N)","","- C16 H32 Mo N O S4 -","- C16 H32.016 Mo N O S4 -","- C128 H256.128 Mo8 N8 O8 S32 -","8","0.5","","Booyong S. Lim; James P. Donahue; R. H. Holm","Synthesis and Structures of Bis(dithiolene)molybdenum Complexes Related to the Active Sites of the DMSO Reductase Enzyme Family","Inorganic Chemistry","2000","39","","263","273","10.1021/ic9908672","","","0.71073","MoKα","","0.0703","0.0353","","0.0622","0.0567","","","","1.09","1.21","1.21","","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00",""
"4300343","16.1421","0.0006","16.1421","0.0006","29.4689","0.0014","90","","90","","90","","7678.6","0.5","173","2","173","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C28 H42 Cl4 N4 Ni4 O9 -","- C28 H40 Cl4 N4 Ni4 O9 -","- C224 H320 Cl32 N32 Ni32 O72 -","8","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050093r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300344","16.6017","0.0005","16.6017","0.0005","29.3656","0.0017","90","","90","","90","","8093.6","0.6","150","2","150","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C32 H50 Cl4 N4 Ni4 O9 -","- C32 H24 Cl4 N4 Ni4 O8.301 -","- C256 H192 Cl32 N32 Ni32 O66.408 -","8","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050093r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300348","13.408","0.0004","13.408","0.0004","42.329","0.003","90","","90","","90","","7609.7","0.6","213","2","213","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C64 H112 Cl4 N4 Ni4 O8 -","- C64 H112 Cl4 N4 Ni4 O8 -","- C256 H448 Cl16 N16 Ni16 O32 -","4","0.25","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050093r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4301152","18.0194","0.0008","18.0194","0.0008","16.4929","0.0007","90","","90","","90","","5355.2","0.4","183","2","183","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C52 H80 Ca K2 N4 O4 -","- C52 H80 Ca K2 N4 O4 -","- C208 H320 Ca4 K8 N16 O16 -","4","0.25","","Matthias Westerhausen; Carsten Glock; Helmar Görls","Alkyl-Substituted Amides as Ligands in Homometallic and Heterobimetallic Calcium Complexes","Inorganic Chemistry","2009","48","","394","399","10.1021/ic801857m","","","0.71073","MoKα","","0.0505","0.0373","","","0.089","0.0975","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4301996","14.258","0.002","14.258","0.002","28.416","0.006","90","","90","","90","","5776.7","1.7","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C14 H10 Co0.03 N8 Zn0.97 -","- C14 H10 Co0.03 N8 Zn0.97 -","- C224 H160 Co0.48 N128 Zn15.52 -","16","1","","Wei-Chao Song; Jian-Rong Li; Peng-Chao Song; Ying Tao; Qun Yu; Xiao-Lan Tong; Xian-He Bu","Tuning the Framework Topologies of CoII-Doped ZnII-Tetrazole-benzoate Coordination Polymers by Ligand Modifications: Structures and Spectral Studies","Inorganic Chemistry","2009","48","","3792","3799","10.1021/ic802438n","","","0.71073","MoKα","","0.0339","0.0292","","","0.0796","0.0825","","","","","","1.06","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4302004","13.5093","0.0012","13.5093","0.0012","6.4195","0.0012","90","","90","","90","","1171.6","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C4 H6 F N3 Zn -","- C4 H6 F N3 Zn -","- C32 H48 F8 N24 Zn8 -","8","0.5","","Ai-Xin Zhu; Jian-Bin Lin; Jie-Peng Zhang; Xiao-Ming Chen","Isomeric Zinc(II) Triazolate Frameworks with 3-Connected Networks: Syntheses, Structures, and Sorption Properties","Inorganic Chemistry","2009","48","","3882","3889","10.1021/ic802446m","","","0.71073","MoKα","","0.0331","0.0309","","","0.0727","0.0742","","","","","","0.925","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302702","7.1095","0.0018","7.1095","0.0018","13.882","0.005","90","","90","","90","","701.7","0.4","293","2","173","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Potassium Strontium borodiphosphate","","- B K O8 P2 Sr -","- B K O8 P2 Sr -","- B4 K4 O32 P8 Sr4 -","4","0.25","","Dan Zhao; Wen-Dan Cheng; Hao Zhang; Shu-Ping Huang; Zhi Xie; Wei-Long Zhang; Song-Lin Yang","KMBP2O8 (M = Sr, Ba): A New Kind of Noncentrosymmetry Borophosphate with the Three-Dimensional Diamond-like Framework","Inorganic Chemistry","2009","48","","6623","6629","10.1021/ic900620x","","","0.71073","MoKα","","0.0402","0.0389","","","0.0944","0.0956","","","","","","1.043","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4302703","7.202","0.002","7.202","0.002","14.3","0.006","90","","90","","90","","741.7","0.4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Potassium barium borodiphosphate","","- B Ba K O8 P2 -","- B Ba K O8 P2 -","- B4 Ba4 K4 O32 P8 -","4","0.25","","Dan Zhao; Wen-Dan Cheng; Hao Zhang; Shu-Ping Huang; Zhi Xie; Wei-Long Zhang; Song-Lin Yang","KMBP2O8 (M = Sr, Ba): A New Kind of Noncentrosymmetry Borophosphate with the Three-Dimensional Diamond-like Framework","Inorganic Chemistry","2009","48","","6623","6629","10.1021/ic900620x","","","0.71073","MoKα","","0.014","0.0132","","","0.0311","0.0314","","","","","","1.006","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4305838","13.9578","0.0004","13.9578","0.0004","28.7133","0.0011","90","","90","","90","","5593.9","0.3","150","2","150","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C54 H30 O13 Zn4 -","- C54 H30 O13 Zn4 -","- C216 H120 O52 Zn16 -","4","0.25","","Stephen R. Caskey; Antek G. Wong-Foy; Adam J. Matzger","Phase Selection and Discovery among Five Assembly Modes in a Coordination Polymerization","Inorganic Chemistry","2008","47","","7751","7756","10.1021/ic800777r","","","1.54187","CuKα","","0.0756","0.0721","","","0.2165","0.2217","","","","","","1.113","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305904","45.833","0.007","45.833","0.007","14.316","0.003","90","","90","","90","","30073","9","150","2","150","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C90 H159 Br8 Dy4 N51 O68 -","- C90 H89 Br8 Dy4 N51 O68 -","- C720 H712 Br64 Dy32 N408 O544 -","8","0.5","","Olga A. Gerasko; Ekaterina A. Mainicheva; Marina I. Naumova; Marco Neumaier; Manfred M. Kappes; Sergey Lebedkin; Dieter Fenske; Vladimir P. Fedin","Sandwich-Type Tetranuclear Lanthanide Complexes with Cucurbit[6]uril: From Molecular Compounds to Coordination Polymers","Inorganic Chemistry","2008","47","","8869","8880","10.1021/ic8008317","","x-ray","0.71073","MoKα","","0.0499","0.0376","","","0.0791","0.0818","","","","","","1.039","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4305905","45.701","0.007","45.701","0.007","14.309","0.003","90","","90","","90","","29886","9","150","2","150","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C90 H157 Br6 Ho4 N51 O68 -","- C90 H89 Br6 Ho4 N51 O68 -","- C720 H712 Br48 Ho32 N408 O544 -","8","0.5","","Olga A. Gerasko; Ekaterina A. Mainicheva; Marina I. Naumova; Marco Neumaier; Manfred M. Kappes; Sergey Lebedkin; Dieter Fenske; Vladimir P. Fedin","Sandwich-Type Tetranuclear Lanthanide Complexes with Cucurbit[6]uril: From Molecular Compounds to Coordination Polymers","Inorganic Chemistry","2008","47","","8869","8880","10.1021/ic8008317","","x-ray","0.71073","MoKα","","0.071","0.0567","","","0.1348","0.14","","","","","","1.069","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4305906","45.675","0.007","45.675","0.007","14.291","0.003","90","","90","","90","","29814","9","150","2","150","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C90 H155 Br8 Er4 N51 O66 -","- C90 H89 Br8.02 Er4 N51 O66 -","- C720 H712 Br64.16 Er32 N408 O528 -","8","0.5","","Olga A. Gerasko; Ekaterina A. Mainicheva; Marina I. Naumova; Marco Neumaier; Manfred M. Kappes; Sergey Lebedkin; Dieter Fenske; Vladimir P. Fedin","Sandwich-Type Tetranuclear Lanthanide Complexes with Cucurbit[6]uril: From Molecular Compounds to Coordination Polymers","Inorganic Chemistry","2008","47","","8869","8880","10.1021/ic8008317","","x-ray","0.71073","MoKα","","0.0459","0.0377","","","0.0798","0.0823","","","","","","1.059","","","","has coordinates,has disorder","179097","2020-10-21","18:00:00",""
"4307415","16.09","0.001","16.09","0.001","48.867","0.004","90","","90","","90","","12651.1","1.5","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","Tetrakis(N,N-dimethylformamide)bis(μ~3~-oxo) hexakis(μ~2~-trifluoroacetate)bis(O-acetate)tetrairon(iii)","","- C28 H28 F24 Fe4 N4 O22 -","- C28 H28 F24 Fe4 N4 O22 -","- C224 H224 F192 Fe32 N32 O176 -","8","0.5","","Fabio Marchetti; Fabio Marchetti; Bernardo Melai; Guido Pampaloni; Stefano Zacchini","Synthesis and Reactivity of Haloacetato Derivatives of Iron(II) Including the Crystal and the Molecular Structure of [Fe(CF3COOH)2(μ-CF3COO)2]n","Inorganic Chemistry","2007","46","","3378","3384","10.1021/ic061903h","","","0.71073","MoKα","","0.0668","0.0617","","","0.158","0.1644","","","","","","1.067","","","","has coordinates,has disorder","179112","2020-10-21","18:00:00",""
"4308203","16.3911","0.0005","16.3911","0.0005","32.712","0.001","90","","90","","90","","8788.7","0.5","293","2","293","2","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Ba19 Li44 -","- Ba19 Li44 -","- Ba76 Li176 -","4","0.25","","Volodymyr Smetana; Volodymyr Babizhetskyy; Grigori V. Vajenine; Constantin Hoch; Arndt Simon","Double-Icosahedral Li Clusters in a New Binary Compound Ba19Li44: A Reinvestigation of the Ba-Li Phase Diagram","Inorganic Chemistry","2007","46","","5425","5428","10.1021/ic070249i","","","0.71073","MoKα","","0.096","0.049","","","0.0439","0.0484","","","","","","0.952","","","","has coordinates","273129","2022-02-23","10:11:34",""
"4308658","12.6295","0.0013","12.6295","0.0013","12.566","0.003","90","","90","","90","","2004.3","0.6","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","Silver mercury vanadate","","","- Ag6 Hg6 O16 V4 -","- Ag6 Hg6 O16 V4 -","- Ag24 Hg24 O64 V16 -","4","0.25","","Matthias Weil; Ekkehart Tillmanns; Dmitry Yu. Pushcharovsky","Hydrothermal Single-Crystal Growth in the Systems Ag/Hg/X/O (X = VV, AsV): Crystal Structures of (Ag3Hg)VO4, (Ag2Hg2)3(VO4)4, and (Ag2Hg2)2(HgO2)(AsO4)2 with the Unusual Tetrahedral Cluster Cations (Ag3Hg)3+ and (Ag2Hg2)4+ and Crystal Structure of AgHgVO4","Inorganic Chemistry","2005","44","","1443","1451","10.1021/ic0484912","","","0.71073","MoKα","","0.0679","0.0508","","","0.1229","0.1271","","","","","","1.062","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4309357","27.2249","0.0008","27.2249","0.0008","25.5182","0.0005","90","","90","","90","","18914","0.9","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C82 H78 Mn6 N4 O26 -","- C82 H78 Mn6 N4 O26 -","- C656 H624 Mn48 N32 O208 -","8","0.5","","Konstantin S. Gavrilenko; Sergey V. Punin; Olivier Cador; Stéphane Golhen; Lahcène Ouahab; Vitaly V. Pavlishchuk","Synthesis, Structure, and Magnetism of Heterometallic Carboxylate Complexes [MnIII2MII4O2(PhCOO)10(DMF)4], M = MnII, CoII, NiII","Inorganic Chemistry","2005","44","","5903","5910","10.1021/ic0505448","","","0.71073","MoKα","","0.1393","0.0681","","","0.1523","0.1847","","","","","","1.231","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309358","27.1017","0.0009","27.1017","0.0009","25.374","0.0004","90","","90","","90","","18637.3","0.9","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C82 H78 Co4 Mn2 N4 O26 -","- C82 H78 Co4 Mn2 N4 O26 -","- C656 H624 Co32 Mn16 N32 O208 -","8","0.5","","Konstantin S. Gavrilenko; Sergey V. Punin; Olivier Cador; Stéphane Golhen; Lahcène Ouahab; Vitaly V. Pavlishchuk","Synthesis, Structure, and Magnetism of Heterometallic Carboxylate Complexes [MnIII2MII4O2(PhCOO)10(DMF)4], M = MnII, CoII, NiII","Inorganic Chemistry","2005","44","","5903","5910","10.1021/ic0505448","","","0.71073","MoKα","","0.0732","0.0495","","","0.1296","0.1508","","","","","","1.077","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309359","27.0152","0.0009","27.0152","0.0009","25.2913","0.0005","90","","90","","90","","18458.1","0.9","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C82 H78 Mn2 N4 Ni4 O26 -","- C82 H78 Mn2 N4 Ni4 O26 -","- C656 H624 Mn16 N32 Ni32 O208 -","8","0.5","","Konstantin S. Gavrilenko; Sergey V. Punin; Olivier Cador; Stéphane Golhen; Lahcène Ouahab; Vitaly V. Pavlishchuk","Synthesis, Structure, and Magnetism of Heterometallic Carboxylate Complexes [MnIII2MII4O2(PhCOO)10(DMF)4], M = MnII, CoII, NiII","Inorganic Chemistry","2005","44","","5903","5910","10.1021/ic0505448","","","0.71073","MoKα","","0.0841","0.0517","","","0.1296","0.155","","","","","","1.048","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4310064","14.6968","0.0018","14.6968","0.0018","26.136","0.005","90","","90","","90","","5645.3","1.5","153","2","153","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C30 H18 N6 O6 Re2 -","- C30 H18 N6 O6 Re2 -","- C240 H144 N48 O48 Re16 -","8","0.5","","Peter H. Dinolfo; Kurt D. Benkstein; Charlotte L. Stern; Joseph T. Hupp","C- and Z-Shaped Coordination Compounds. Synthesis, Structure, and Spectroelectrochemistry of cis- and trans-[Re(CO)3(L)]2-2,2'-bisbenzimidizolate with L = 4-Phenylpyridine, 2,4'-Bipyridine, or Pyridine","Inorganic Chemistry","2005","44","","8707","8714","10.1021/ic050894u","","","0.71073","MoKα","","0.0359","0.0286","","","0.0571","0.0594","","","","","","1.063","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310558","12.565","0.004","12.565","0.004","32.192","0.015","90","","90","","90","","5082","3","203","2","203","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H32 I3 Lu O4 -","- C12 H32 I3 Lu O4 -","- C96 H256 I24 Lu8 O32 -","8","0.5","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; Brian L. Scott","Auto-ionization in Lutetium Iodide Complexes: Effect of the Ionic Radius on Lanthanide-Iodide Binding","Inorganic Chemistry","2004","43","","1065","1070","10.1021/ic035090y","","","0.71073","MoKα","","0.026","0.0251","","","0.057","0.0573","","","","","","1.567","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4313835","10.119","0.0007","10.119","0.0007","13.6166","0.0014","90","","90","","90","","1394.3","0.2","296","2","296","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C12 H8 N10 Zn -","- C12 H8 N10 Zn -","- C48 H32 N40 Zn4 -","4","0.25","","Li-Zhong Wang; Zhi-Rong Qu; Hong Zhao; Xi-Sen Wang; Ren-Gen Xiong; Zi-Ling Xue","Isolation and Crystallographic Characterization of a Solid Precipitate/Intermediate in the Preparation of 5-Substituted 1H-Tetrazoles from Nitrile in Water","Inorganic Chemistry","2003","42","","3969","3971","10.1021/ic034116i","","","0.71073","MoKα","","0.0368","0.0305","","","0.0711","0.0762","","","","","","0.502","","","","has coordinates,has disorder","179204","2020-10-21","18:00:00",""
"4315584","11.3972","0.0009","11.3972","0.0009","19.056","0.003","90","","90","","90","","2475.3","0.5","193","2","193","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C4 H24 B4 Mn N2 -","- C4 H24 B4 Mn N2 -","- C32 H192 B32 Mn8 N16 -","8","0.5","","Do Young Kim; Gregory S. Girolami","Highly Volatile Magnesium Complexes with the Aminodiboranate Anion, a New Chelating Borohydride. Synthesis and Characterization of Mg(H3BNMe2BH3)2 and Related Compounds","Inorganic Chemistry","2010","49","","4942","4948","10.1021/ic1000667","","","0.71073","MoKα","","0.0413","0.0219","","","0.0328","0.0341","","","","","","0.739","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4317499","6.7694","0.0004","6.7694","0.0004","60.073","0.005","90","","90","","90","","2752.8","0.3","293","2","293","2","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Sb18 Zr11 -","- Sb18 Zr11 -","- Sb72 Zr44 -","4","0.25","","Ingrid Elder; Chi-Shen Lee; Holger Kleinke","Zr11Sb18: A New Binary Antimonide Exhibiting an Unusual Sb Atom Network with Nonclassical Sb-Sb Bonding","Inorganic Chemistry","2002","41","","538","545","10.1021/ic0108235","","","0.71073","MoKα","","0.0683","0.0599","","","0.0891","0.0921","","","","","","1.568","","","","has coordinates","179254","2020-10-21","18:00:00",""
"4317500","6.7648","0.0008","6.7648","0.0008","60.056","0.009","90","","90","","90","","2748.3","0.6","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Sb18 V0.63 Zr10.37 -","- Sb18 V0.62 Zr10.374 -","- Sb72 V2.48 Zr41.496 -","4","0.25","","Ingrid Elder; Chi-Shen Lee; Holger Kleinke","Zr11Sb18: A New Binary Antimonide Exhibiting an Unusual Sb Atom Network with Nonclassical Sb-Sb Bonding","Inorganic Chemistry","2002","41","","538","545","10.1021/ic0108235","","","0.71073","MoKα","","0.0617","0.0479","","","0.0662","0.0701","","","","","","1.306","","","","has coordinates","179255","2020-10-21","18:00:00",""
"4317848","26.8869","0.0002","26.8869","0.0002","11.7327","0.0001","90","","90","","90","","8481.63","0.11","173","2","173","2","","","","","","","B. Johnson / Prof. A. Stein","6","I -4 2 d","I -4 2bw","122","97088a","","","- C24 H24 As4 Mo12 N4 O46 -","- C24 H24 As4 Mo12 N4 O46 -","- C96 H96 As16 Mo48 N16 O184 -","4","0.25","","Bret J. S. Johnson; Rick C. Schroden; Changcheng Zhu; Victor G. Young; Andreas Stein","Design and Analysis of Chain and Network Structures from Organic Derivatives of Polyoxometalate Clusters","Inorganic Chemistry","2002","41","","2213","2218","10.1021/ic010820s","","","0.71073","MoKα","","0.0668","0.054","","0.1313","0.1219","","","","0.98","1.061","1.061","","","","","has coordinates,has disorder","179258","2020-10-21","18:00:00",""
"4318744","38.2199","0.0007","38.2199","0.0007","36.9701","0.0007","90","","90","","90","","54004.5","1.7","200","2","200","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C72 H180 Cl4 Cu6 In8 P12 S13 -","- C64.5 Cl4 Cu6 In8 P12 S13 -","- C1032 Cl64 Cu96 In128 P192 S208 -","16","1","","Diem T. T. Tran; Lianne M. C. Beltran; Collin M. Kowalchuk; Nicholas R. Trefiak; Nicholas J. Taylor; John F. Corrigan","Ternary Nanoclusters of CuHgS, CuHgSe, and CuInS","Inorganic Chemistry","2002","41","","5693","5698","10.1021/ic0110528","","","0.71073","MoKα","","0.1482","0.1118","","","0.2831","0.3055","","","","","","1.069","","","","has coordinates,has disorder","179267","2020-10-21","18:00:00",""
"4320214","12.8552","0.0002","12.8552","0.0002","27.3574","0.0004","90","","90","","90","","4520.98","0.12","213","2","213","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C16 H32 N O S4 W -","- C16 H32 N O S4 W -","- C128 H256 N8 O8 S32 W8 -","8","0.5","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.0351","0.0256","","","0.0781","0.0802","","","","","","1.088","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00",""
"4321119","6.3517","0.0004","6.3517","0.0004","11.6904","0.0009","90","","90","","90","","471.64","0.06","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Al Li Te2 -","- Al Li Te2 -","- Al4 Li4 Te8 -","4","0.25","","Joonyeong Kim; Timothy Hughbanks","Synthesis and Structures of New Ternary Aluminum Chalcogenides: LiAlSe2, α-LiAlTe2, and β-LiAlTe2","Inorganic Chemistry","2000","39","","3092","3097","10.1021/ic000210c","","","0.71073","MoKα","","0.021","0.0193","","0.0433","0.0424","","","","1.194","1.228","1.228","","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4323084","8.509","0.001","8.509","0.001","12.324","0.002","90","","90","","90","","892.3","0.2","173","2","173","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","trifluoromethyl iodinedifluoride","","- C F5 I -","- C F5 I -","- C8 F40 I8 -","8","0.5","","Rolf Minkwitz; Michael Berkei","A New Preparation and Crystal Structure of Trifluoromethyl Iodine Difluoride CF3IF2","Inorganic Chemistry","1998","37","","5247","5250","10.1021/ic980503u","","","0.71069","MoKα","","0.0341","0.0239","","0.0426","0.0412","","","","0.928","0.962","0.962","","","","","has coordinates","179333","2020-10-21","18:00:00",""
"4326409","32.0634","0.0014","32.0634","0.0014","17.7798","0.0008","90","","90","","90","","18278.7","1.4","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","Undecarubidium Heptaneptunium Tridecakis(tetrathioPhosphate)","","","- Np7 P13 Rb11 S52 -","- Np7 P13 Rb11 S52 -","- Np56 P104 Rb88 S416 -","8","0.5","","Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Neptunium Thiophosphate Chemistry: Intermediate Behavior between Uranium and Plutonium","Inorganic Chemistry","2011","50","","9688","9695","10.1021/ic201493w","","","0.71073","MoKα","","0.0391","0.0326","","","0.0735","0.0753","","","","","","1.42","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326412","31.937","0.003","31.937","0.003","17.2691","0.0015","90","","90","","90","","17614","3","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","Undecapotassium Heptaneptunium Tridecakis(tetrathioPhosphate)","","","- K11 Np7 P13 S52 -","- K11.001 Np7 P13 S52 -","- K88.008 Np56 P104 S416 -","8","0.5","","Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Neptunium Thiophosphate Chemistry: Intermediate Behavior between Uranium and Plutonium","Inorganic Chemistry","2011","50","","9688","9695","10.1021/ic201493w","","","0.71073","MoKα","","0.0392","0.0376","","","0.0862","0.0864","","","","","","2.528","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4327699","7.5076","0.0002","7.5076","0.0002","15.4444","0.0005","90","","90","","90","","870.51","0.04","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- As2 F12 Mn -","- As2 F12 Mn -","- As8 F48 Mn4 -","4","0.25","","Horst Borrmann; Karel Lutar; Boris Žemva","Manganese(II) Hexafluoroarsenate: Unusually High Coordination of Manganese(II) in a Fluorine Environment","Inorganic Chemistry","1997","36","","880","882","10.1021/ic960814+","","","0.56087","AgKα","","0.0247","0.0235","","0.0617","0.0607","","","","1.117","1.122","1.122","","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4332254","14.811","0.002","14.811","0.002","15.595","0.003","90","","90","","90","","3421","0.9","120","2","120","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C20 H20 Cu6 I4 N4 Se4 W -","- C20 H20 Cu6 I4 N4 Se4 W -","- C80 H80 Cu24 I16 N16 Se16 W4 -","4","0.25","","Zhang, Qian-Feng; Yu, Zhan; Ding, Jihai; Song, Yinglin; Rothenberger, Alexander; Fenske, Dieter; Leung, Wa-Hung","Construction of New Heteroselenometallic Clusters: Formation of Crownlike [Et4N]4[(μ5-WSe4)(CuI)5(μ-I)2] and Octahedral Polymeric [(μ6-WSe4)Cu6I4(py)4]nfrom Planar [Et4N]4[(μ4-WSe4)Cu4I6] with Additional Faces","Inorganic Chemistry","2006","45","13","5187","5195","10.1021/ic060161p","","","0.71073","MoKα","","0.0467","0.0466","","","0.1175","0.1177","","","","","","1.108","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4334768","10.5402","0.0015","10.5402","0.0015","9.828","0.002","90","","90","","90","","1091.8","0.3","173","0.2","173","0.2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Ga Li O6 Se2 -","- Ga Li O6 Se2 -","- Ga8 Li8 O48 Se16 -","8","0.5","","Dong Woo Lee; Kang Min Ok","New Alkali-Metal Gallium Selenites, AGa(SeO3)2 (A = Li, Na, K, and Cs): Effect of Cation Size on the Framework Structures and Macroscopic Centricities","Inorganic Chemistry","2013","52","","5176","5184","10.1021/ic400458a","","","0.71073","MoKα","","0.0231","0.0223","","","0.0473","0.0476","","","","","","1.03","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4338947","12.398","0.004","12.398","0.004","53.97","0.02","90","","90","","90","","8296","5","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","tetrakis(m\3-oxo)tetrakis(μ-acetato)tetrakispyridine tetracobalt(III) NaClO~4~ 3.5H~2~O","","- C28 H32 Cl Co4 N4 Na O19.5 -","- C28 H26 Cl Co4 N4 Na O19.5 -","- C224 H208 Cl8 Co32 N32 Na8 O156 -","8","0.5","","Chakrabarty, Rajesh; Bora, Sanchay J.; Das, Birinchi K.","Synthesis, structure, spectral and electrochemical properties, and catalytic use of cobalt(III)-oxo cubane clusters.","Inorganic chemistry","2007","46","22","9450","9462","10.1021/ic7011759","","","0.71073","MoKα","","0.0394","0.0384","","","0.1225","0.1238","","","","","","1.183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339457","12.4199","0.0004","12.4199","0.0004","6.0842","0.0003","90","","90","","90","","938.51","0.06","298","2","298","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C2 H3 In O5 -","- C2 H3 In O5 -","- C16 H24 In8 O40 -","8","0.5","","Su, Jie; Wang, Yingxia; Yang, Sihai; Li, Guobao; Liao, Fuhui; Lin, Jianhua","New series of indium formates: hydrothermal synthesis, structure and coordination modes.","Inorganic chemistry","2007","46","20","8403","8409","10.1021/ic7007599","","","0.71073","MoKα","","0.033","0.0244","","","0.0465","0.0477","","","","","","1.024","","","","has coordinates","179497","2020-10-21","18:00:00",""
"4340142","15.912","0.002","15.912","0.002","31.831","0.006","90","","90","","90","","8059","2","293","2","293","2","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Li44 Sr19 -","- Li44 Sr19 -","- Li176 Sr76 -","4","0.25","","Smetana, Volodymyr; Kienle, Lorenz; Duppel, Viola; Simon, Arndt","Synthesis, Crystal Structure, and TEM Analysis of Sr19Li44 and Sr3Li2: A Reinvestigation of the Sr-Li Phase Diagram.","Inorganic chemistry","2015","54","3","733","739","10.1021/ic5010165","","","0.71073","MoKα","","0.1134","0.0507","","","0.0852","0.1052","","","","","","0.935","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340471","26.8013","0.0011","26.8013","0.0011","9.6943","0.0004","90","","90","","90","","6963.5","0.5","110","2","110","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C36 H34 Br4 N2 O4 -","- C36 H34 Br4 N2 O4 -","- C288 H272 Br32 N16 O32 -","8","0.5","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Pitfalls in Bromination Reactions of Zinc Porphyrins: Two-Sided Ring Opening of the Porphyrin Macrocycle.","Inorganic chemistry","2014","53","15","7894","","10.1021/ic500468r","","","0.71073","MoKα","","0.0412","0.0274","","","0.0569","0.0621","","","","","","0.997","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340932","25.987","0.004","25.987","0.004","34.162","0.006","90","","90","","90","","23070","6","296","2","296","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C16 H146 Ce4 N8 Na16 O191 W44 -","- C16 H64 Ce4 N8 Na2 O180 W44 -","- C64 H256 Ce16 N32 Na8 O720 W176 -","4","0.25","","Chen, Wei-Chao; Wang, Xin-Long; Jiao, Yan-Qing; Huang, Peng; Zhou, En-Long; Su, Zhong-Min; Shao, Kui-Zhan","pH-controlled and sulfite anion-directed assembly of a family of cerium(III)-containing polyoxotungstates clusters.","Inorganic chemistry","2014","53","18","9486","9497","10.1021/ic500442k","","","0.71073","MoKα","","0.0571","0.0448","","","0.0949","0.1003","","","","","","1.03","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4343376","10.5936","0.0014","10.5936","0.0014","9.9714","0.0014","90","","90","","90","","1119","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- Fe H2 Li O6 P2 -","- Fe H2 Li O6 P2 -","- Fe8 H16 Li8 O48 P16 -","8","0.5","","Yaghoobnejad Asl, Hooman; Choudhury, Amitava","Phosphite as Polyanion-Based Cathode for Li-Ion Battery: Synthesis, Structure, and Electrochemistry of LiFe(HPO3)2.","Inorganic chemistry","2015","54","13","6566","6572","10.1021/acs.inorgchem.5b00900","","","0.71073","MoKα","","0.026","0.0251","","","0.0675","0.0679","","","","","","1.152","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344148","15.4077","0.0006","15.4077","0.0006","15.3877","0.0007","90","","90","","90","","3653","0.3","200","2","200","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C44 H8 F20 N4 Ni -","- C44 H8 F20 N4 Ni -","- C176 H32 F80 N16 Ni4 -","4","0.25","","Dommaschk, Marcel; Thoms, Vanessa; Schütt, Christian; Näther, Christian; Puttreddy, Rakesh; Rissanen, Kari; Herges, Rainer","Coordination-Induced Spin-State Switching with Nickel Chlorin and Nickel Isobacteriochlorin.","Inorganic chemistry","2015","54","19","9390","9392","10.1021/acs.inorgchem.5b01756","","","0.71073","MoKα","","0.0291","0.0278","","","0.0689","0.0698","","","","","","1.042","","","","has coordinates","170062","2020-10-21","18:00:00",""
"4346889","14.234","0.004","14.234","0.004","63.76","0.03","90","","90","","90","","12918","8","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C43 H29 N2 O23 Tb3 -","- C43 H19 N2 O23 Tb3 -","- C344 H152 N16 O184 Tb24 -","8","0.5","","Zhao, Jun; Wang, Ye-Nan; Dong, Wen-Wen; Wu, Ya-Pan; Li, Dong-Sheng; Zhang, Qi-Chun","A Robust Luminescent Tb(III)-MOF with Lewis Basic Pyridyl Sites for the Highly Sensitive Detection of Metal Ions and Small Molecules.","Inorganic chemistry","2016","55","7","3265","3271","10.1021/acs.inorgchem.5b02294","","","0.71073","MoKα","","0.071","0.0597","","","0.1466","0.1534","","","","","","1.075","","","","has coordinates","232046","2020-10-21","18:00:00",""
"4347257","27.581","0.005","27.581","0.005","43.468","0.008","90","","90","","90","","33067","10","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C136 H168 F N8 O36 P8 Zn8 -","- C136 H168 F N8 O36 P8 Zn8 -","- C544 H672 F4 N32 O144 P32 Zn32 -","4","0.25","","Dar, Aijaz A.; Bhat, Gulzar A.; Murugavel, Ramaswamy","Dimensionality Alteration and Intra- versus Inter-SBU Void Encapsulation in Zinc Phosphate Frameworks.","Inorganic chemistry","2016","55","11","5180","5190","10.1021/acs.inorgchem.5b02949","","","0.71075","MoKα","","0.1054","0.0962","","","0.2804","0.2914","","","","","","1.141","","","","has coordinates","232237","2020-10-21","18:00:00",""
"4348948","12.807","0.0008","12.807","0.0008","59.467","0.006","90","","90","","90","","9753.7","1.3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Poly{[(mu4-5-cyanoisophthalato-kO:kO':kO'':kO''') bis(mu3-5-cyanoisophthalato-kO:kO':k2O'',O''') tetrakis(dimethylformamide)didysprosium(III)]dimethylformamide hydrate}","","- C42 H46 Dy2 N8 O18 -","- C39 H37 Dy2 N7 O16 -","- C312 H296 Dy16 N56 O128 -","8","0.5","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.0478","0.0418","","","0.0896","0.0919","","","","","","1.053","","","","has coordinates,has disorder","233504","2020-10-21","18:00:00",""
"4350752","21.578","0.002","21.578","0.002","11.5095","0.0013","90","","90","","90","","5358.9","0.9","150","2","150","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C26 H39 Cl O2 P2 Pd -","- C26 H39 Cl O2 P2 Pd -","- C208 H312 Cl8 O16 P16 Pd8 -","8","0.5","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","0.8856","synchrotron","","0.0313","0.0298","","","0.0756","0.0763","","","","","","1.049","","","","has coordinates","244425","2020-10-21","18:00:00",""
"4502232","23.3033","0.0008","23.3033","0.0008","6.5788","0.0004","90","","90","","90","","3572.6","0.3","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C60 H44 Cd2 Li2 N2 O20 -","- C60 H44 Cd2 Li2 N2 O20 -","- C120 H88 Cd4 Li4 N4 O40 -","2","0.125","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.0393","0.0358","","","0.1137","0.1178","","","","","","1.057","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4504810","18.492","0.0005","18.492","0.0005","28.562","0.001","90","","90","","90","","9766.9","0.5","100","2","100","2","","","","","","","Synthesized","5","I -4 2 d","I -4 2bw","122","Lithium 4-Br,2,6-Dimethylphenoxide Dioxolane","","","- C22 H28 Br2 Li2 O6 -","- C22 H28 Br2 Li2 O6 -","- C352 H448 Br32 Li32 O96 -","16","1","","Morris, J. Jacob; Noll, Bruce C.; Henderson, Kenneth W.","Assembly of 63,66-Pillared Metal−Organic Bilayers and Diamondoid Lattices Using Molecular Li2O2Ring Dimers as Secondary Building Units","Crystal Growth & Design","2006","6","5","1071","","10.1021/cg0600187","","x-ray","0.71073","MoKα","","0.0322","0.0239","","","0.0456","0.0472","","","","","","0.986","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4506526","15.0828","0.0003","15.0828","0.0003","24.7518","0.0006","90","","90","","90","","5630.8","0.2","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C38 H72 Br8 F12 N2 Zn -","- C38 H72 Br8 F12 N2 Zn -","- C152 H288 Br32 F48 N8 Zn4 -","4","0.25","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.1018","0.0507","","","0.114","0.1422","","","","","","1.096","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506930","26.658","0.002","26.658","0.002","8.479","0.0006","90","","90","","90","","6025.6","0.8","106","2","106","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C17.25 H13 Co0.5 N2 O3 -","- C17.25 H11 Co0.5 N2 O3 -","- C276 H176 Co8 N32 O48 -","16","1","","Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming","Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands","Crystal Growth & Design","2012","12","11","5529","","10.1021/cg301094h","","","0.71073","MoKα","","0.1116","0.0949","","","0.2698","0.2952","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508517","30.2868","0.0007","30.2868","0.0007","64.156","0.003","90","","90","","90","","58850","3","120","2","120","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C96 H82 B4 Co5 F16 N38 O23 -","- C96 H82 B3 Co5 F12 N38 O23 -","- C1536 H1312 B48 Co80 F192 N608 O368 -","16","1","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.217","0.0991","","","0.2342","0.259","","","","","","1.328","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4510006","21.312","0.01","21.312","0.01","16.548","0.003","90","","90","","90","","7516","5","113","2","113","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C48 H41 Cl5 M N27 O4 -","- C48 H32 Cl5 Mn6 N24 O4 -","- C192 H128 Cl20 Mn24 N96 O16 -","4","0.25","","Han, Song-De; Zhao, Jiong-Peng; Chen, Yong-Qiang; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","A Spin-Canted Polynuclear Manganese Complex Comprised of Alternating Linkage of Cyclic Tetra-and Mononuclear Fragments","Crystal Growth & Design","2014","14","1","2","","10.1021/cg401335n","","","0.71073","MoKα","","0.0945","0.0843","","","0.2123","0.2198","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510642","25.984","0.003","25.984","0.003","13.9986","0.0015","90","","90","","90","","9451.4","1.8","223","2","223","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C16 H9.5 Ba1.5 N0.5 O8.5 -","- C16 H9.5 Ba1.5 N0.5 O8.5 -","- C256 H152 Ba24 N8 O136 -","16","1","","Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu","Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands","Crystal Growth & Design","2013","13","7","2965","","10.1021/cg4003803","","","0.71075","MoKα","","0.044","0.0396","","","0.1315","0.1483","","","","","","1.244","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510941","12.222","0.0015","12.222","0.0015","41.159","0.005","90","","90","","90","","6148.2","1.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C35 H24 Cd N2 O8 -","- C35 H26 Cd N2 O8 -","- C280 H208 Cd8 N16 O64 -","8","0.5","","Pang, Ling-Yan; Yang, Guo-Ping; Jin, Jun-Cheng; Kang, Meng; Fu, Ai-Yun; Wang, Yao-Yu; Shi, Qi-Zhen","A Rare L1D + R1D →3D Luminescent Dense Polymer as Multifunctional Sensor to Nitro Aromatic Compounds, Cu2+, and Bases","Crystal Growth & Design","2014","14","6","2954","","10.1021/cg5002418","","","0.71073","MoKα","","0.0347","0.0314","","","0.0914","0.107","","","","","","1.13","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511222","21.92","0.04","21.92","0.04","34.55","0.07","90","","90","","90","","16601","5","93.1","","","","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C38 H72 Cs3 Mo12 N O58 P -","- C36 Cs3 Mo12 O58 P -","- C288 Cs24 Mo96 O464 P8 -","8","0.5","","Akutagawa, Tomoyuki; Endo, Daigoro; Kudo, Fumito; Noro, Shin-ichiro; Takeda, Sadamu; Cronin, Leroy; Nakamura, Takayoshi","A Solid-State Supramolecular Rotator Assembled from a Cs-crown Ether Polyoxometalate Hybrid: (Cs+)3([18]crown-6)3(H+)2[PMo12O40]","Crystal Growth & Design","2008","8","3","812","","10.1021/cg060951+","","","0.71075","MoKα","","","0.0475","","","","0.089","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511223","21.8123","0.0012","21.8123","0.0012","34.6801","0.0019","90","","90","","90","","16500","1.6","163.1","","","","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C38 H72 Cs3 Mo12 N O58 P -","- C38 Cs3 Mo12 N O58 P -","- C304 Cs24 Mo96 N8 O464 P8 -","8","0.5","","Akutagawa, Tomoyuki; Endo, Daigoro; Kudo, Fumito; Noro, Shin-ichiro; Takeda, Sadamu; Cronin, Leroy; Nakamura, Takayoshi","A Solid-State Supramolecular Rotator Assembled from a Cs-crown Ether Polyoxometalate Hybrid: (Cs+)3([18]crown-6)3(H+)2[PMo12O40]","Crystal Growth & Design","2008","8","3","812","","10.1021/cg060951+","","","0.71075","MoKα","","","0.0599","","","","0.1702","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4517324","15.3766","0.0003","15.3766","0.0003","15.4761","0.0005","90","","90","","90","","3659.17","0.16","180.01","0.1","180.01","0.1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C43 H10 F20 N4 Ni O2 -","- C43 H10 F20 N4 Ni O2 -","- C172 H40 F80 N16 Ni4 O8 -","4","0.25","","Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long","Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction","ACS Catalysis","2020","","","2177","2188","10.1021/acscatal.9b03985","","","0.71073","MoKα","","0.0476","0.041","","","0.1058","0.1149","","","","","","1.096","","","","has coordinates,has disorder","257026","2020-10-21","18:00:00",""
"4517325","15.4016","0.0001","15.4016","0.0001","15.4334","0.0004","90","","90","","90","","3660.95","0.1","180.1","0.2","180.1","0.2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C43 H8 F20 N4 Ni O2 -","- C43 H8 F20 N4 Ni O2 -","- C172 H32 F80 N16 Ni4 O8 -","4","0.25","","Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long","Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction","ACS Catalysis","2020","","","2177","2188","10.1021/acscatal.9b03985","","","0.71073","MoKα","","0.0313","0.0305","","","0.0865","0.0875","","","","","","1.043","","","","has coordinates,has disorder","257026","2020-10-21","18:00:00",""
"4517955","14.4358","0.0002","14.4358","0.0002","58.4604","0.0011","90","","90","","90","","12182.7","0.3","100","0.1","100","0.1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C72 H74 Au2 Br8 N48 O25 -","- C72 H74 Au1.9998 Br7.9992 N48 O25 -","- C288 H296 Au7.9992 Br31.9968 N192 O100 -","4","0.25","","Wu, Huang; Jones, Leighton O.; Wang, Yu; Shen, Dengke; Liu, Zhichang; Zhang, Long; Cai, Kang; Jiao, Yang; Stern, Charlotte L.; Schatz, George C.; Stoddart, J. Fraser","High-Efficiency Gold Recovery Using Cucurbit[6]uril.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09673","","x-ray","0.71073","MoKα","","0.1064","0.0901","","","0.2526","0.2663","","","","","","1.016","","","","has coordinates,has disorder","255402","2020-10-21","18:00:00",""
"4517990","13.049","0.0006","13.049","0.0006","39.4798","0.0018","90","","90","","90","","6722.5","0.5","165","2","165","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C11 H3 Ag F3 N7 O5 S -","- C11 H3 Ag F3 N7 O5 S -","- C176 H48 Ag16 F48 N112 O80 S16 -","16","1","","Yadav, Ashok; Panda, Dillip K.; Zhang, Shiyu; Zhou, Wei; Saha, Sourav","Electrically Conductive 3D Metal-Organic Framework Featuring π-Acidic Hexaazatriphenylene Hexacarbonitrile Ligands with Anion-π Interaction and Efficient Charge-Transport Capabilities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c12388","","","0.71073","MoKα","","0.033","0.0303","","","0.0751","0.0768","","","","","","1.058","","","","has coordinates,has disorder","255716","2020-10-21","18:00:00",""
"4519319","6.994","0.005","6.994","0.005","9.897","0.004","90","","90","","90","","484.1","0.5","293","","293","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C2 Ca O5 -","- C2 Ca O5 -","- C16 Ca8 O40 -","8","0.5","","König, Jannes; Spahr, Dominik; Bayarjargal, Lkhamsuren; Gavryushkin, Pavel N.; Sagatova, Dinara; Sagatov, Nursultan; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn","Novel Calcium sp3 Carbonate CaC2O5-I4̅2d May Be a Carbon Host in Earth’s Lower Mantle","ACS Earth and Space Chemistry","2022","6","1","73","80","10.1021/acsearthspacechem.1c00284","","x-ray","0.2905","synchrotron","","0.1355","0.0667","","","0.0646","0.0873","","","","1.51","1.51","1.3","","","","has coordinates","272490","2022-02-03","21:35:45",""
"5000366","20.53","0.004","20.531","0.004","63.827","0.013","90","","90","","90","","26903.3","9.3","110","","110","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C220 H174 Mn12 O48 -","- C220 H144 Mn12 O48 -","- C880 H576 Mn48 O192 -","4","0.25","","","","","","","","","","","","","0.71073","MoKα","","0.2337","0.1556","","0.3637","0.3277","","","","1.998","2.451","2.451","","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00",""
"6000760","6.262","","6.262","","12.897","","90","","90","","90","","505.73","","","","","","","","270000","","","","","3","I -4 2 d","","","","","","- Ag In Te2 -","","","","","","Diaz, M.; de Chalbaud, L. M.; Sagredo, V.; Tinoco, T.; Pineda, C.","Synchrotron structural study of AgInTe2","Physica Status Solidi B: Basic Solid State Physics","2000","220","","281","284","10.1002/1521-3951(200007)220:1<281::AID-PSSB281>3.0.CO;2-X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000140","14.0247","0.0005","14.0247","0.0005","5.2884","0.0004","90","","90","","90","","1040.19","0.09","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4 H6 Cu N3 -","- C4 H6 Cu N3 -","- C32 H48 Cu8 N24 -","8","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Supramolecular isomerism within three-dimensional 3-connected nets: unusual synthesis and characterization of trimorphic copper(I) 3,5-dimethyl-1,2,4-triazolate.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3681","3685","10.1039/b509615d","","","0.71073","MoKα","","0.0201","0.0197","","","0.0569","0.0572","","","","","","1.019","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7001062","24.6663","0.0011","24.6663","0.0011","17.6314","0.0016","90","","90","","90","","10727.4","1.2","158","2","158","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C18 H42 K0.5 N5.5 Ni O3 Si -","- C18 H42 K0.5 N5.5 Ni O3 Si -","- C288 H672 K8 N88 Ni16 O48 Si16 -","16","1","","Powell-Jia, Darla; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Borovik, A. S.","A structure and reactivity analysis of monomeric Ni(ii)‒hydroxo complexes prepared from water","Dalton Transactions","2009","","16","2986","2992","10.1039/b820209e","","","0.71073","MoKα","","0.0317","0.0258","","","0.061","0.0647","","","","","","1.12","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7003809","25.6097","0.0006","25.6097","0.0006","27.9465","0.0008","90","","90","","90","","18328.9","0.8","223","2","223","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C59 H51 F6 N2 O2.5 P5 Ru -","- C59 H51 F6 N2 O2.5 P5 Ru -","- C472 H408 F48 N16 O20 P40 Ru8 -","8","0.5","","Ge, Qingchun; Hor, T. S. Andy","Stepwise assembly of linearly-aligned Ru‒M‒Ru (M = Pd, Pt) heterotrimetallic complexes with σ-4-ethynylpyridine spacer","Dalton Transactions","2008","","22","2929","2936","10.1039/b719820e","","","0.71073","MoKα","","0.1074","0.0861","","","0.2398","0.2629","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004320","17.092","0.0003","17.092","0.0003","7.0582","0.0002","90","","90","","90","","2061.96","0.08","293","2","293","2","","","","","","","synthesis as described","4","I -4 2 d","I -4 2bw","122","","","","- C16 H16 Br S8 -","- C16 H16 Br S8 -","- C64 H64 Br4 S32 -","4","0.25","","Fourmigué, Marc; Reinheimer, Eric W.; Dunbar, Kim R.; Auban-Senzier, Pascale; Pasquier, Claude; Coulon, Claude","A series of strongly one-dimensional organic metals with strictly uniform stacks: (o-DMTTF)2X (X = Cl, Br, I)","Dalton Transactions","2008","","34","4652","","10.1039/b805511d","","x-ray","0.71073","MoKα","","0.0271","0.024","","","0.0578","0.0596","","","","","","1.163","","","","has coordinates","179747","2020-10-21","18:00:00",""
"7004321","16.9376","0.0006","16.9376","0.0006","7.04","0.0003","90","","90","","90","","2019.65","0.13","293","2","293","2","","","","","","","synthesis as described","4","I -4 2 d","I -4 2bw","122","","","","- C16 H16 Cl S8 -","- C16 H16 Cl S8 -","- C64 H64 Cl4 S32 -","4","0.25","","Fourmigué, Marc; Reinheimer, Eric W.; Dunbar, Kim R.; Auban-Senzier, Pascale; Pasquier, Claude; Coulon, Claude","A series of strongly one-dimensional organic metals with strictly uniform stacks: (o-DMTTF)2X (X = Cl, Br, I)","Dalton Transactions","2008","","34","4652","","10.1039/b805511d","","x-ray","0.71073","MoKα","","0.0495","0.0405","","","0.0902","0.0972","","","","","","0.914","","","","has coordinates","179747","2020-10-21","18:00:00",""
"7004322","17.4031","0.0002","17.4031","0.0002","7.0978","0.0001","90","","90","","90","","2149.7","0.05","293","2","293","2","","","","","","","synthesis as described","4","I -4 2 d","I -4 2bw","122","","","","- C16 H16 I S8 -","- C16 H16 I S8 -","- C64 H64 I4 S32 -","4","0.25","","Fourmigué, Marc; Reinheimer, Eric W.; Dunbar, Kim R.; Auban-Senzier, Pascale; Pasquier, Claude; Coulon, Claude","A series of strongly one-dimensional organic metals with strictly uniform stacks: (o-DMTTF)2X (X = Cl, Br, I)","Dalton Transactions","2008","","34","4652","","10.1039/b805511d","","x-ray","0.71073","MoKα","","0.0235","0.0229","","","0.0575","0.0584","","","","","","1.087","","","","has coordinates","179747","2020-10-21","18:00:00",""
"7006025","15.2904","0.0004","15.2904","0.0004","16.7746","0.0006","90","","90","","90","","3921.8","0.2","173","2","173","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C40 H24 Br4 Hg2 N8 Ni O4 -","- C40 H24 Br4 Hg2 N8 Ni O4 -","- C160 H96 Br16 Hg8 N32 Ni4 O16 -","4","0.25","","Deiters, Emmanuel; Bulach, Véronique; Hosseini, Mir Wais","Heterobimetallic coordination networks based on metallaporphyrins bearing four pyridine N-oxide groups as coordinating sites","Dalton Transactions","2007","","37","4126","","10.1039/b708302e","","","0.71073","MoKα","","0.035","0.0315","","","0.0758","0.0772","","","","","","1.041","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006173","8.6013","0.0004","8.6013","0.0004","40.0329","0.0016","90","","90","","90","","2961.7","0.2","173","","173","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C32 H28 N6 O8 Ru -","- C32 H28 N6 O8 Ru -","- C128 H112 N24 O32 Ru4 -","4","0.25","","Constable, Edwin C.; Dunphy, Emma L.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Schaper, Frank; Batten, Stuart R.","Expanded ligands: bis(2,2':6',2''-terpyridine carboxylic acid)ruthenium(ii) complexes as metallosupramolecular analogues of dicarboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2007","","38","4323","4332","10.1039/b709557k","","","0.71073","MoKα","","0.0414","0.0208","","0.0297","0.0217","0.0217","","","","","","1.0798","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018177","7.4098","0.001","7.4098","0.001","17.084","0.003","90","","90","","90","","938","0.2","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C2 H1.5 Co0.25 N O0.5 -","- C2 H1.5 Co0.25 N O0.5 -","- C32 H24 Co4 N16 O8 -","16","1","","Zhang, Jing; Gao, Song; Zhang, Xi-Xiang; Wang, Zhe-Ming; Che, Chi-Ming","Weak ferromagnetism in chiral diamond-like neutral networks: Mn(2-pymS)(2) and Co(2-pymS)(2) (2-pymSH = 2-mercaptopyrimidine).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2626","2631","10.1039/c2dt11738j","","","0.71073","MoKα","","0.0358","0.029","","","0.066","0.0681","","","","","","1.045","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7019012","20.3235","0.0014","20.3235","0.0014","39.008","0.006","90","","90","","90","","16112","3","296","2","296","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C26 H44 Cu4 Mo12 N32 O44 S8 Si -","- C26 H40 Cu4 Mo12 N32 O44 S8 Si -","- C208 H320 Cu32 Mo96 N256 O352 S64 Si8 -","8","0.5","","Gong, Jingjing; Zhang, Weisong; Liu, Yang; Zhang, Hengchao; Hu, Hailiang; Kang, Zhenhui","Keggin polyanion and copper cluster based coordination polymer towards model for complex nanosystem.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5468","5471","10.1039/c2dt30284e","","","0.71073","MoKα","","0.1","0.099","","","0.2157","0.2164","","","","","","1.155","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019773","14.1227","0.0002","14.1227","0.0002","44.7701","0.0013","90","","90","","90","","8929.4","0.3","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C36 H90 Eu2 N12 O58 W12 Zn -","- C24 H56 Eu2 N8 O54 W12 Zn -","- C96 H224 Eu8 N32 O216 W48 Zn4 -","4","0.25","","Zhao, Wen-Feng; Zou, Chao; Shi, Lian-Xu; Yu, Jian-Can; Qian, Guo-Dong; Wu, Chuan-De","Synthesis of diamondoid lanthanide-polyoxometalate solids as tunable photoluminescent materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10091","10096","10.1039/c2dt30481c","","","0.71073","MoKα","","0.0655","0.058","","","0.1534","0.1596","","","","","","1.133","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019774","14.1527","0.0003","14.1527","0.0003","44.8022","0.0013","90","","90","","90","","8973.8","0.4","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C36 H90 La2 N12 O58 W12 Zn -","- C24 H56 La2 N8 O54 W12 Zn -","- C96 H224 La8 N32 O216 W48 Zn4 -","4","0.25","","Zhao, Wen-Feng; Zou, Chao; Shi, Lian-Xu; Yu, Jian-Can; Qian, Guo-Dong; Wu, Chuan-De","Synthesis of diamondoid lanthanide-polyoxometalate solids as tunable photoluminescent materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10091","10096","10.1039/c2dt30481c","","","0.71073","MoKα","","0.0621","0.0522","","","0.1218","0.1312","","","","","","1.171","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019775","13.8766","0.0005","13.8766","0.0005","44.477","0.002","90","","90","","90","","8564.5","0.6","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C36 H90 N12 O58 Tb2 W12 Zn -","- C24 H56 N8 O54 Tb2 W12 Zn -","- C96 H224 N32 O216 Tb8 W48 Zn4 -","4","0.25","","Zhao, Wen-Feng; Zou, Chao; Shi, Lian-Xu; Yu, Jian-Can; Qian, Guo-Dong; Wu, Chuan-De","Synthesis of diamondoid lanthanide-polyoxometalate solids as tunable photoluminescent materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10091","10096","10.1039/c2dt30481c","","","0.71073","MoKα","","0.0969","0.0748","","","0.1791","0.194","","","","","","1.145","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7020172","18.145","0.003","18.145","0.003","41.701","0.009","90","","90","","90","","13730","4","120","2","120","2","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Ge9.75 O22.75 -","- Ge9.793 O22.793 -","- Ge156.688 O364.688 -","16","1","","Huang, Shiliang; Inge, A. Ken; Yang, Sihai; Christensen, Kirsten E.; Zou, Xiaodong; Sun, Junliang","SU-75: a disordered Ge10 germanate with pcu topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12358","12364","10.1039/c2dt30767g","","","0.6889","Synchrotron","","0.0563","0.0544","","","0.1643","0.1664","","","","","","1.043","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020834","7.455","0.008","7.455","0.008","6.947","0.002","90","","90","","90","","386.1","0.6","296","2","296","2","210000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.0535","0.0418","","","0.0716","0.0727","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020835","7.39","0.004","7.39","0.004","6.9266","0.0019","90","","90","","90","","378.3","0.3","296","2","296","2","960000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.038","0.038","","","0.0849","0.0849","","","","","","1.277","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020837","7.366","0.004","7.366","0.004","6.8894","0.0018","90","","90","","90","","373.8","0.3","296","2","296","2","1460000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.0423","0.0423","","","0.0984","0.0984","","","","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020839","7.345","0.005","7.345","0.005","6.8756","0.0016","90","","90","","90","","370.9","0.4","296","2","296","2","1680000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.0375","0.0367","","","0.0819","0.0832","","","","","","1.155","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020840","7.34","0.007","7.34","0.007","6.865","0.003","90","","90","","90","","369.9","0.5","296","2","296","2","1760000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.0364","0.0358","","","0.0456","0.0459","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020841","7.33","0.004","7.33","0.004","6.8542","0.0013","90","","90","","90","","368.3","0.3","296","2","296","2","1910000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.0361","0.0361","","","0.0725","0.0725","","","","","","1.326","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020842","7.305","0.006","7.305","0.006","6.8316","0.0018","90","","90","","90","","364.6","0.4","296","2","296","2","2280000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.0381","0.0378","","","0.0815","0.0815","","","","","","1.193","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021298","28.256","0.005","28.256","0.005","6.2531","0.0013","90","","90","","90","","4992.5","1.6","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C26 H23 N2 O7 Zn -","- C26 H23 N2 O7 Zn -","- C208 H184 N16 O56 Zn8 -","8","0.5","","Mendiguchia, Barbara Sanz; Pucci, Daniela; Mastropietro, Teresa F.; Ghedini, Mauro; Crispini, Alessandra","Non-classical anticancer agents: on the way to water soluble zinc(ii) heteroleptic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6768","6774","10.1039/c3dt50367d","","","0.71073","MoKα","","0.0643","0.0446","","","0.1081","0.1173","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021471","25.749","0.004","25.749","0.004","8.3921","0.0017","90","","90","","90","","5564.1","1.7","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C28 H24 Cd N8 O8 -","- C28 H24 Cd N8 O8 -","- C224 H192 Cd8 N64 O64 -","8","0.5","","Sun, Yan-Qiong; Deng, Song; Liu, Qi; Ge, Su-Zhi; Chen, Yi-Ping","A green luminescent 1-D helical tubular dipyrazol-bridged cadmium(ii) complex: a coordination tube included in a supramolecular tube.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10503","10509","10.1039/c3dt50620g","","","0.71073","MoKα","","0.0459","0.0453","","","0.1056","0.106","","","","","","1.157","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021641","17.2432","0.0005","17.2432","0.0005","17.7825","0.0005","90","","90","","90","","5287.2","0.3","296","2","296","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C38 H72 N2 O6 P4 Pt6 -","- C38 H72 N2 O6 P4 Pt6 -","- C152 H288 N8 O24 P16 Pt24 -","4","0.25","","Anselmi, Martina; Bonuccelli, Veronica; Funaioli, Tiziana; Leoni, Piero; Marchetti, Fabio; Marchetti, Lorella; Mohapatra, Swagat Kumar; Pasquali, Marco","Synthesis and electrochemical characterization of hexanuclear platinum bis-pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10855","10866","10.1039/c3dt50714a","","","0.71073","MoKα","","0.0517","0.0369","","","0.0801","0.0885","","","","","","1.04","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7022619","16.9643","0.0004","16.9643","0.0004","7.6067","0.0007","90","","90","","90","","2189.1","0.2","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C14 H24 Mg N6 O8 S2 -","- C14 H24 Mg N6 O8 S2 -","- C56 H96 Mg4 N24 O32 S8 -","4","0.25","","Gong, Yun; Hao, Zhi; Li, JingHua; Wu, Tao; Lin, JianHua","Mg(II)-induced second-harmonic generation based on bis-monodentate coordination mode of thiobarbiturate.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6489","6494","10.1039/c3dt32380c","","","0.71073","MoKα","","0.0735","0.0693","","","0.2037","0.2064","","","","","","1.186","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022620","16.8944","0.0002","16.8944","0.0002","7.5454","0.0003","90","","90","","90","","2153.61","0.09","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C14 H24 N6 Ni O8 S2 -","- C14 H24 N6 Ni O8 S2 -","- C56 H96 N24 Ni4 O32 S8 -","4","0.25","","Gong, Yun; Hao, Zhi; Li, JingHua; Wu, Tao; Lin, JianHua","Mg(II)-induced second-harmonic generation based on bis-monodentate coordination mode of thiobarbiturate.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6489","6494","10.1039/c3dt32380c","","","0.71073","MoKα","","0.0623","0.0597","","","0.1729","0.1746","","","","","","1.165","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7026260","10.9744","0.0018","10.9744","0.0018","23.216","0.006","90","","90","","90","","2796.1","1","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C2 H16 Al B5 N2 O12 -","- C2 H16 Al B5 N2 O12 -","- C16 H128 Al8 B40 N16 O96 -","8","0.5","","Cao, Gao-Juan; Lin, Jian; Wang, Jin-Yun; Zheng, Shou-Tian; Fang, Wei-Hui; Yang, Guo-Yu","Two additive-induced isomeric aluminoborates templated by methylamine.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8631","8636","10.1039/c0dt00303d","","","0.71073","MoKα","","0.0354","0.0313","","","0.0842","0.1036","","","","","","1.052","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026597","18.45","0.004","18.45","0.004","23.201","0.007","90","","90","","90","","7898","3","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C20 H24 N O19 P2 Zn3 -","- C20 H24 N O19 P2 Zn3 -","- C160 H192 N8 O152 P16 Zn24 -","8","0.5","","Ling, Yun; Liao, Teng-Biao; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong","Systematic exploration of a rutile-type zinc(II)-phosphonocarboxylate open framework: the factors that influence the structure.","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10712","10718","10.1039/c0dt00525h","","","0.71073","MoKα","","0.0696","0.0558","","","0.1367","0.1426","","","","","","0.993","","","","has coordinates","179971","2020-10-21","18:00:00",""
"7026598","18.31","0.006","18.31","0.006","23.222","0.011","90","","90","","90","","7785","5","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C16 H12 O16 P2 Zn3 -","- C16 H12 O16 P2 Zn3 -","- C128 H96 O128 P16 Zn24 -","8","0.5","","Ling, Yun; Liao, Teng-Biao; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong","Systematic exploration of a rutile-type zinc(II)-phosphonocarboxylate open framework: the factors that influence the structure.","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10712","10718","10.1039/c0dt00525h","","","0.71073","MoKα","","0.0456","0.0399","","","0.1462","0.1481","","","","","","1.183","","","","has coordinates","179971","2020-10-21","18:00:00",""
"7028880","20.866","0.0021","20.866","0.0021","15.5435","0.0016","90","","90","","90","","6767.5","1.2","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C35 H34 Cl2 O2 P2 Pd S2 -","- C35 H34 Cl2 O2 P2 Pd S2 -","- C280 H272 Cl16 O16 P16 Pd8 S16 -","8","0.5","","Wrixon, Justin D.; Hayward, John J.; Raza, Osman; Rawson, Jeremy M.","Oxidative addition chemistry of tetrathiocines: synthesis, structures and properties of group 10 dithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2134","2139","10.1039/c3dt52802b","","","0.71073","MoKα","","0.0325","0.0289","","","0.0666","0.0688","","","","","","1.064","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028881","20.864","0.006","20.864","0.006","15.544","0.005","90","","90","","90","","6766","4","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C35 H34 Cl2 O2 P2 Pt S2 -","- C35 H34 Cl2 O2 P2 Pt S2 -","- C280 H272 Cl16 O16 P16 Pt8 S16 -","8","0.5","","Wrixon, Justin D.; Hayward, John J.; Raza, Osman; Rawson, Jeremy M.","Oxidative addition chemistry of tetrathiocines: synthesis, structures and properties of group 10 dithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2134","2139","10.1039/c3dt52802b","","","0.71073","MoKα","","0.0181","0.0172","","","0.0407","0.0411","","","","","","1.086","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7029829","12.394","0.0004","12.394","0.0004","9.2041","0.0003","90","","90","","90","","1413.85","0.08","295","2","295","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","Magnesium-bis-aqua-bis-tetracyanidoborate","Magnesium-bis-aqua-bis-tetracyanidoborate","","- C8 H4 B2 Mg N8 O2 -","- C8 H4 B2 Mg N8 O2 -","- C32 H16 B8 Mg4 N32 O8 -","4","0.25","","Nitschke, Christian; Köckerling, Martin; Bernhardt, Eduard; Küppers, Torsten; Willner, Helge","Structural diversity and spectral and thermal properties of the first alkaline earth metal tetracyanidoborates: [Mg(H2O)6][B(CN)4]2, [Mg(H2O)2][B(CN)4]2, [Mg(DMF)6][B(CN)4]2, [Ca(H2O)3][B(CN)4]2, and [Ca(H2O)2(CH3CN)][B(CN)4]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7128","7138","10.1039/c3dt51945g","","","0.71073","MoKα","","0.0302","0.0253","","","0.0604","0.0621","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029833","12.3683","0.0002","12.3683","0.0002","9.1712","0.0003","90","","90","","90","","1402.96","0.06","150","1","150","1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C8 H4 B2 Mg N8 O2 -","- C8 H4 B2 Mg N8 O2 -","- C32 H16 B8 Mg4 N32 O8 -","4","0.25","","Nitschke, Christian; Köckerling, Martin; Bernhardt, Eduard; Küppers, Torsten; Willner, Helge","Structural diversity and spectral and thermal properties of the first alkaline earth metal tetracyanidoborates: [Mg(H2O)6][B(CN)4]2, [Mg(H2O)2][B(CN)4]2, [Mg(DMF)6][B(CN)4]2, [Ca(H2O)3][B(CN)4]2, and [Ca(H2O)2(CH3CN)][B(CN)4]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7128","7138","10.1039/c3dt51945g","","","1.54184","CuKα","","0.0175","0.017","","","0.0454","0.0458","","","","","","1.113","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029840","9.473","0.0011","9.473","0.0011","42.894","0.01","90","","90","","90","","3849.2","1.1","296","2","296","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C17 H13 Cd N5 O5 S -","- C17 H13 Cd N5 O5 S -","- C136 H104 Cd8 N40 O40 S8 -","8","0.5","","Xue, Li-Ping; Chang, Xin-Hong; Li, Shi-Hui; Ma, Lu-Fang; Wang, Li-Ya","The structural diversity and photoluminescent properties of cadmium thiophenedicarboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7219","7226","10.1039/c4dt00211c","","","0.71073","MoKα","","0.036","0.033","","","0.089","0.0904","","","","","","1.253","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029841","9.4643","0.0012","9.4643","0.0012","42.89","0.011","90","","90","","90","","3841.8","1.2","296","2","296","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C17 H12 Cd N5 O5 S -","- C17 H12 Cd N5 O5 S -","- C136 H96 Cd8 N40 O40 S8 -","8","0.5","","Xue, Li-Ping; Chang, Xin-Hong; Li, Shi-Hui; Ma, Lu-Fang; Wang, Li-Ya","The structural diversity and photoluminescent properties of cadmium thiophenedicarboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7219","7226","10.1039/c4dt00211c","","","0.71073","MoKα","","0.0381","0.0367","","","0.0962","0.097","","","","","","1.107","","","","has coordinates,has disorder","180004","2020-10-21","18:00:00",""
"7032874","15.1224","0.0002","15.1224","0.0002","30.8856","0.0006","90","","90","","90","","7063.13","0.19","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","5b.solv [Fe(k3-P,N,P-PNP-Ph)2](Cl)2.solv 1610","5b.solv ‒ [Fe(k^3^-P,N,P-PNP-Ph)~2~](Cl)~2~.solv","","- C58 H50 Cl2 Fe N6 P4 -","- C58 H50 Cl2 Fe N6 P4 -","- C232 H200 Cl8 Fe4 N24 P16 -","4","0.25","","Glatz, Mathias; Bichler, Bernhard; Mastalir, Matthias; Stöger, Berthold; Weil, Matthias; Mereiter, Kurt; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Iron(II) complexes featuring κ3- and κ2-bound PNP pincer ligands‒the significance of sterics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","281","294","10.1039/c4dt02866j","","","0.71073","MoKα","","0.0278","0.0259","","","0.0692","0.0707","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7035107","14.85742","0.00019","14.85742","0.00019","39.7127","0.0009","90","","90","","90","","8766.3","0.3","120","0.2","120","0.2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C24 H22 Co N4 O4 -","- C24 H22 Co N4 O4 -","- C384 H352 Co16 N64 O64 -","16","1","","Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher","The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9269","9280","10.1039/c5dt00011d","","x-ray","1.5418","CuKα","","0.0487","0.0418","","","0.1172","0.123","","","","","","1.044","","","","has coordinates","138733","2020-10-21","18:00:00",""
"7036470","22.0223","0.0012","22.0223","0.0012","21.628","0.002","90","","90","","90","","10489.2","1.3","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C48 H42 Cd2 N4 O10 -","- C48 H30 Cd2 N4 O10 -","- C384 H240 Cd16 N32 O80 -","8","0.5","","Yuan, Guozan; Hu, Guoli; Shan, Weilong; Jin, Suo; Gu, Qingyun; Chen, Jing","Structural and luminescence modulation in 8-hydroxyquinolinate-based coordination polymers by varying the dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17774","17783","10.1039/c5dt02692j","","","0.71073","MoKα","","0.0374","0.0349","","","0.1055","0.1071","","","","","","1.127","","","","has coordinates","161860","2020-10-21","18:00:00",""
"7038605","17.3664","0.0002","17.3664","0.0002","17.6625","0.0002","90","","90","","90","","5326.87","0.11","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C40 H74 O4 P4 Pt6 -","- C40 H74 O4 P4 Pt6 -","- C160 H296 O16 P16 Pt24 -","4","0.25","","Bonuccelli, Veronica; Funaioli, Tiziana; Leoni, Piero; Marchetti, Fabio; Marchetti, Lorella; Pasquali, Marco","Synthesis and characterization of non-bridging mono- and bis-σ-η(1)-alkynyl derivatives of the phosphido-bridged hexaplatinum core [Pt6(μ-PBu(t)2)4(CO)4](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6878","6892","10.1039/c6dt00410e","","","0.71073","MoKα","","0.0241","0.0173","","","0.031","0.0323","","","","","","0.986","","","","has coordinates","182731","2020-10-21","18:00:00",""
"7038729","14.1313","0.0006","14.1313","0.0006","28.8408","0.0013","90","","90","","90","","5759.3","0.4","103","2","103","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C24 H14 O10 Os3 Te2 -","- C24 H14 O10 Os3 Te2 -","- C192 H112 O80 Os24 Te16 -","8","0.5","","Shim, E. K. S.; Leong, W. K.; Li, Y.-Z.; Richmond, M. G.","Isomerization of the osmium-tellurium cluster Os3(μ-TeR)2(CO)10: a kinetic and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7158","7162","10.1039/c6dt00588h","","","0.71073","MoKα","","0.018","0.0168","","","0.0355","0.0358","","","","","","1.033","","","","has coordinates","182719","2020-10-21","18:00:00",""
"7042329","24.935","0.016","24.935","0.016","11.671","0.011","90","","90","","90","","7256","9","100","2","100","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C42 H52 U -","- C42 H52 U -","- C336 H416 U8 -","8","0.5","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a uranium metallacyclocumulene and its reactivity towards unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3716","3728","10.1039/c7dt00396j","","","0.71073","MoKα","","0.077","0.0525","","","0.0996","0.1095","","","","","","0.97","","","","has coordinates","195101","2020-10-21","18:00:00",""
"7042595","24.045","0.0002","24.045","0.0002","14.5399","0.0002","90","","90","","90","","8406.42","0.15","150","2","150","0.1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C21 H33 N2 O Zn0.5 -","- C21 H33 N2 O Zn0.5 -","- C336 H528 N32 O16 Zn8 -","16","1","","McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D.","Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5048","5057","10.1039/c7dt00751e","","x-ray","1.54184","CuKα","","0.0283","0.0259","","","0.0657","0.067","","","","","","1.032","","","","has coordinates,has disorder","196470","2020-10-21","18:00:00",""
"7047692","34.7169","0.0013","34.7169","0.0013","45.3651","0.0019","90","","90","","90","","54677","4","296","2","296","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- Cu14 H62 Na9 O195 Si4 Te10 W36 -","- Cu14 Na9 O175.5 Si4 Te10 W36 -","- Cu112 Na72 O1404 Si32 Te80 W288 -","8","0.5","","Chen, Wei-Chao; Wu, Si-Tong; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","An unprecedented {CuTe} core incorporated in a 36-tungsto-4-silicate polyoxometalate with visible light-driven catalytic hydrogen evolution activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16403","16407","10.1039/c8dt03658f","","","0.71073","MoKα","","0.0886","0.0555","","","0.133","0.1521","","","","","","0.999","","","","has coordinates","229636","2020-10-21","18:00:00",""
"7049734","11.4387","0.0016","11.4387","0.0016","17.818","0.004","90","","90","","90","","2331.4","0.7","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Di tert butyl azidobismuthane","","- C8 H18 Bi N3 -","- C8 H18 Bi N3 -","- C64 H144 Bi8 N24 -","8","0.5","","Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten","Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5253","5262","10.1039/c9dt00408d","","","0.71073","MoKα","","0.0187","0.0167","","","0.036","0.0363","","","","","","1.037","","","","has coordinates","224190","2020-10-21","18:00:00",""
"7050198","24.9759","0.0007","24.9758","0.0007","16.2578","0.00029","90","0.0005","90","0.0005","90","0.0005","10141.5","0.4","","","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C20 H30 Br2 N4 O1.75 -","- C20 H30 Br2 N4 O1.75 -","- C320 H480 Br32 N64 O28 -","16","1","","Raphaël Tripier; Stéphanie Develay; Michel Le Baccon; Françoise Chuburu; François Michaud; Henri Handel","Self-assembly route from a bis-aminal derivative to a new cyclam based macropentacycle","New J. Chem.","2004","28","2","173","176","10.1039/b310074j","","","0.71073","MoK-alpha","","0.1022","0.0695","","0.2348","0.1947","","","","1.069","1.129","1.129","","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7055848","14.2118","0.0005","14.2118","0.0005","63.501","0.004","90","","90","","90","","12825.6","1","296.15","","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C45 H55 Eu3 O35 -","- C45 H31 Eu3 O23 -","- C360 H248 Eu24 O184 -","8","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","W-shaped 1,3-di(2,4-dicarboxyphenyl)benzene based lanthanide coordination polymers with tunable white light emission","New J. Chem.","2016","40","12","10440","","10.1039/C6NJ00294C","","","0.71073","MoKα","","0.0749","0.0618","","","0.1278","0.1327","","","","","","1.063","","","","has coordinates","190244","2020-10-21","18:00:00",""
"7055849","14.1842","0.0014","14.1842","0.0014","63.709","0.009","90","","90","","90","","12818","3","296.15","","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C45 H55 O35 Tb3 -","- C45 H31 O23 Tb3 -","- C360 H248 O184 Tb24 -","8","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","W-shaped 1,3-di(2,4-dicarboxyphenyl)benzene based lanthanide coordination polymers with tunable white light emission","New J. Chem.","2016","40","12","10440","","10.1039/C6NJ00294C","","","0.71073","MoKα","","0.0955","0.0815","","","0.1772","0.1842","","","","","","1.1","","","","has coordinates,has disorder","190244","2020-10-21","18:00:00",""
"7055850","14.1545","0.0003","14.1545","0.0003","62.938","0.002","90","","90","","90","","12609.6","0.6","296.15","","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C45 H55 Dy3 O35 -","- C45 H31 Dy3 O23 -","- C360 H248 Dy24 O184 -","8","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","W-shaped 1,3-di(2,4-dicarboxyphenyl)benzene based lanthanide coordination polymers with tunable white light emission","New J. Chem.","2016","40","12","10440","","10.1039/C6NJ00294C","","","0.71073","MoKα","","0.0376","0.0281","","","0.059","0.0613","","","","","","1.041","","","","has coordinates","190244","2020-10-21","18:00:00",""
"7055851","14.309","0.0004","14.309","0.0004","63.9","0.004","90","","90","","90","","13083.4","1","296.15","","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C45 H55 O35 Sm3 -","- C45 H31 O23 Sm3 -","- C360 H248 O184 Sm24 -","8","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","W-shaped 1,3-di(2,4-dicarboxyphenyl)benzene based lanthanide coordination polymers with tunable white light emission","New J. Chem.","2016","40","12","10440","","10.1039/C6NJ00294C","","","0.71073","MoKα","","0.0483","0.0372","","","0.0819","0.087","","","","","","1.064","","","","has coordinates","190244","2020-10-21","18:00:00",""
"7056127","15.396","0.007","15.396","0.007","14.482","0.015","90","","90","","90","","3433","4","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C44 H20 F8 N4 Pt -","- C44 H20 F8 N4 Pt -","- C176 H80 F32 N16 Pt4 -","4","0.25","","Arunkumar, Chellaiah; Kooriyaden, Fasalu Rahman; Zhang, Xiaochen; Subramaniam, Sujatha; Zhao, Jianzhang","Fluorinated meso-tetraaryl Pt(II)-porphyrins: Structure, Photophysical, Electrochemical and Phosphorescent Oxygen Sensing Studies","New J. Chem.","2017","","","","","10.1039/C7NJ01141E","","","0.71073","MoKα","","0.0415","0.0307","","","0.0755","0.0984","","","","","","1.176","","","","has coordinates","195906","2020-10-21","18:00:00",""
"7056687","12.423","0.0004","12.423","0.0004","26.376","0.002","90","","90","","90","","4070.6","0.4","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H24 B Cu F4 N8 -","- C12 H24 B Cu F4 N8 -","- C96 H192 B8 Cu8 F32 N64 -","8","0.5","","Melekhova, Anna A.; Novikov, Alexander S.; Panikorovsky, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Novel Family of Homoleptic Copper(I) Complexes Featuring Disubstituted Cyanamides: Combined Synthetic, Structural, and Theoretical Study","New J. Chem.","2017","","","","","10.1039/C7NJ02798B","","","0.71073","MoKα","","0.0274","0.0218","","","0.0528","0.0557","","","","","","1.142","","","","has coordinates","202048","2020-10-21","18:00:00",""
"7057183","14.677","0.004","14.677","0.004","29.911","0.016","90","","90","","90","","6443","4","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C32 H20 N2 O10 Ru3 -","- C32 H20 N2 O10 Ru3 -","- C256 H160 N16 O80 Ru24 -","8","0.5","","Hao, Zhiqiang; Li, Ning; Yan, Xinlong; Li, Ying; Zong, Siqi; Liu, Huating; Han, Zhangang; Lin, Jin","Ruthenium carbonyl complexes with pyridylalkanol ligands: synthesis, characterization and catalytic properties for aerobic oxidation of secondary alcohols","New Journal of Chemistry","2018","42","9","6968","","10.1039/C8NJ00329G","","","0.71073","MoKα","","0.0764","0.0466","","","0.1069","0.1323","","","","","","1.158","","","","has coordinates","230432","2020-10-21","18:00:00",""
"7057526","15.0159","0.0002","15.0159","0.0002","13.7387","0.0006","90","","90","","90","","3097.76","0.15","295","2","295","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","tetragonal","","- C44 H28 Cu N4 -","- C44 H28 Cu N4 -","- C176 H112 Cu4 N16 -","4","0.25","","Chen, Chen; He, Xiao-Tong; Hong, Dan-Li; Wang, Jing-Wen; Luo, Yang-Hui; Sun, Bai-Wang","Tuning the crystal structures of metal-tetraphenylporphines via a magnetic field","New Journal of Chemistry","2018","42","15","12570","","10.1039/C8NJ01882K","","","0.71073","MoKα","","0.0512","0.0502","","","0.1298","0.1306","","","","","","1.118","","","","has coordinates","230457","2020-10-21","18:00:00",""
"7057527","15.0099","0.0002","15.0099","0.0002","13.6593","0.0005","90","","90","","90","","3077.4","0.13","295","0.1","295","0.1","","","","","","","","4","I -4 2 d","I -4 2bw","122","","tetragonal","","- C44 H28 Cu N4 -","- C44 H28 Cu N4 -","- C176 H112 Cu4 N16 -","4","0.25","","Chen, Chen; He, Xiao-Tong; Hong, Dan-Li; Wang, Jing-Wen; Luo, Yang-Hui; Sun, Bai-Wang","Tuning the crystal structures of metal-tetraphenylporphines via a magnetic field","New Journal of Chemistry","2018","42","15","12570","","10.1039/C8NJ01882K","","","1.54178","CuKα","","0.0417","0.0409","","","0.1073","0.1079","","","","","","1.081","","","","has coordinates","230457","2020-10-21","18:00:00",""
"7060332","14.43","","14.43","","34.979","0.004","90","","90","","90","","7283.5","0.8","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C19 H21 Co F4 N2 -","- C19 H21 Co F4 N2 -","- C304 H336 Co16 F64 N32 -","16","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0281","0.0271","","","0.0665","0.0675","","","","","","1.089","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7101405","22.4579","0.0006","22.4579","0.0006","35.6656","0.0018","90","","90","","90","","17988.2","1.1","173","2","173","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","compound 5, IrCl(TpMs)(=CH-pzMs)","","","- C49 H53 B Cl Ir N8 -","- C49 H53 B Cl Ir N8 -","- C784 H848 B16 Cl16 Ir16 N128 -","16","1","","Jorge A. Lopez; Kurt Mereiter; Margarita Paneque; Manuel L. Poveda; Oracio Serrano; Swiatoslaw Trofimenko; Ernesto Carmona","Unusual Fragmentation of CH2Cl2 by an Ir(III) Centre Bonded to a Doubly Metalated TpMs Ligand (TpMs = Hydrotris(3-mesitylpyrazol-1-yl)borate)","Chemical Communications","2006","","37","","","10.1039/b608293a","","","0.71073","MoKα","","0.0358","0.0305","","","0.056","0.0578","","","","","","1.058","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101585","15.117","0.004","15.117","0.004","13.535","0.005","90","","90","","90","","3093","1.5","130","2","130","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C43 H26 N4 Ni O2 -","- C43 H26 N4 Ni O2 -","- C172 H104 N16 Ni4 O8 -","4","0.25","","J.Zaleski; Tillmann Kopke; Maren Pink","Elucidation of the extraordinary 4-membered pyrrole ring-contracted azeteoporphyrinoid as an intermediate in chlorin oxidation","Chemical Communications","2006","","47","","","10.1039/b611567e","","","0.71073","MoKα","","0.0481","0.0374","","","0.0896","0.0956","","","","","","1.035","","","","has coordinates,has disorder","277870","2022-09-15","11:09:07",""
"7102288","21.4042","0.0008","21.4042","0.0008","21.408","0.0016","90","","90","","90","","9807.9","0.9","100","2","100","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C54 H32 Ag F6 N2 S4 Sb -","- C54 H32 Ag F6 N2 S4 Sb -","- C432 H256 Ag8 F48 N16 S32 Sb8 -","8","0.5","","Sun, Yan-Qiong; He, Jun; Xu, Zhengtao; Huang, Guo; Zhou, Xiao-Ping; Zeller, Matthias; Hunter, Allen D","Centripetal molecules as multifunctional building blocks for coordination networks.","Chemical communications (Cambridge, England)","2007","","45","4779","4781","10.1039/b709942h","","","0.71073","MoKα","","0.07","0.0497","","","0.1116","0.1193","","","","","","1.065","","","","has coordinates,has disorder","180124","2020-10-21","18:00:00",""
"7102716","12.58","0.006","12.58","0.006","16.127","0.01","90","","90","","90","","2552","2","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C24 H20 Fe K2 S4 -","- C24 H20 Fe K2 S4 -","- C96 H80 Fe4 K8 S16 -","4","0.25","","Yu, Xiao-Yan; Jin, Guo-Xin; Weng, Lin-Hong","Phenylthiolate as a sigma- and pi- donor ligand: synthesis of a 3-D organometallic coordination polymer [K2Fe(SPh)4]n.","Chemical communications (Cambridge, England)","2004","","13","1542","1543","10.1039/b404443f","","","0.71073","MoKα","","0.0493","0.0445","","","0.1235","0.1264","","","","","","1.449","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7103019","13.624","0.0007","13.624","0.0007","28.484","0.0014","90","","90","","90","","5287","0.5","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C47 H68 Ca Li2 N4 -","- C40 H60 Ca Li2 N4 -","- C160 H240 Ca4 Li8 N16 -","4","0.25","","Guino-o, Marites A; Campana, Charles F; Ruhlandt-Senge, Karin","A unique heterobimetallic benzyl calciate‒an organometallic mixed-metal species involving a heavy alkaline-earth metal.","Chemical communications (Cambridge, England)","2008","","14","1692","1694","10.1039/b715701k","","","0.71073","MoKα","","0.0786","0.0656","","","0.1753","0.1837","","","","","","1.121","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103886","28.0095","0.0018","28.0095","0.0018","7.4018","0.0009","90","","90","","90","","5807","0.9","90","1","90","1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C24 H30 F6 N5 O7 P -","- C24 H24 F6 N5 O7 P -","- C192 H192 F48 N40 O56 P8 -","8","0.5","","","The design and synthesis of non-centric diamond-like networks based NH4+ ion","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b306253h","","","0.71073","MoKα","","0.1037","0.0884","","","0.2326","0.2546","","","","","","1.06","","","","has coordinates","180141","2020-10-21","18:00:00",""
"7105229","18.31","0.006","18.31","0.006","23.222","0.011","90","","90","","90","","7785","5","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C16 H12 O16 P2 Zn3 -","- C16 H12 O16 P2 Zn3 -","- C128 H96 O128 P16 Zn24 -","8","0.5","","Liao, Teng-Biao; Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong","A rutile-type porous zinc(II)-phosphonocarboxylate framework: local proton transfer and size-selected catalysis.","Chemical communications (Cambridge, England)","2010","46","7","1100","1102","10.1039/b917987a","","","0.71073","MoKα","","0.0458","0.0402","","","0.1471","0.1489","","","","","","1.187","","","","has coordinates","180156","2020-10-21","18:00:00",""
"7105230","18.218","0.004","18.218","0.004","23.552","0.007","90","","90","","90","","7817","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C16 H12 O16 P2 Zn3 -","- C16 H12 O16 P2 Zn3 -","- C128 H96 O128 P16 Zn24 -","8","0.5","","Liao, Teng-Biao; Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong","A rutile-type porous zinc(II)-phosphonocarboxylate framework: local proton transfer and size-selected catalysis.","Chemical communications (Cambridge, England)","2010","46","7","1100","1102","10.1039/b917987a","","","0.71073","MoKα","","0.1059","0.0649","","","0.1935","0.2031","","","","","","1.083","","","","has coordinates","180156","2020-10-21","18:00:00",""
"7106994","22.467","0.002","22.467","0.002","29.858","0.003","90","","90","","90","","15071","2","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C40 H50 N4 O23 Zn2 -","- C40 H44 N4 O23 Zn2 -","- C320 H352 N32 O184 Zn16 -","8","0.5","","Qipu Lin; Tao Wu; Shoutian Zheng; Xianhui Bu; Pingyun Feng","A Chiral Tetragonal Magnesium-Carboxylate Framework with Nanotubular Channels","Chem.Commun.","2011","47","","11852","","10.1039/c1cc14836b","","","0.71073","MoKα","","0.1384","0.0986","","","0.2534","0.2843","","","","","","1.063","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7107083","19.3307","0.0002","19.3307","0.0002","27.7612","0.0008","90","","90","","90","","10373.7","0.3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C24.5 H22.5 Fe N4 O3.75 -","- C24.5 H18 Fe N4 O3.75 -","- C392 H288 Fe16 N64 O60 -","16","1","","Lihong Li; Guy J. Clarkson; David J. Evans; Martin R. Lees; Scott S. Turner; Peter Scott","Isomeric Fe(II) MOFs: from a diamond-framework spin-crossover material to a 2D hard magnet","Chem.Commun.","2011","47","","12646","","10.1039/c1cc15574a","","","0.71073","MoKα","","0.1068","0.0553","","","0.1291","0.1407","","","","","","0.922","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107232","20.25","0.003","20.25","0.003","84.201","0.019","90","","90","","90","","34528","11","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C204 H342 Ag44 N10 O110 V36 -","- C204 H324 Ag44 N10 O110 V36 -","- C816 H1296 Ag176 N40 O440 V144 -","4","0.25","","Yun-Peng Xie; Thomas Mak","A pyrovanadate-templated silver(I)-ethynide cluster circumscribed by macrocyclic polyoxovanadate(V)","Chem.Commun.","2012","48","","1123","","10.1039/c2cc16756e","","","0.71073","MoKα","","0.1355","0.0981","","","0.2236","0.2448","","","","","","1.096","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107402","16.0765","0.0006","16.0765","0.0006","29.839","0.002","90","","90","","90","","7712","0.7","90","2","90","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C28 H40 Cl4 Fe4 N4 O8 -","- C28 H40 Cl4 Fe4 N4 O8 -","- C224 H320 Cl32 Fe32 N32 O64 -","8","0.5","","Francesco Piga; Fabrizio Moro; Itana Krivokapic; Alexander J. Blake; Ruth Edge; Eric J. L. McInnes; Fernando Luis; Marco Evangelisti; David J. Evans; Jonathan McMaster; Joris van Slageren","Magnetic properties of a novel family of ferrous cubanes","Chem.Commun.","2012","48","","2430","","10.1039/c2cc16853g","","","0.71073","MoKα","","0.0429","0.0387","","","0.0996","0.1018","","","","","","1.108","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7108701","18.31","0.006","18.31","0.006","23.222","0.011","90","","90","","90","","7785","5","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C16 H12 O16 P2 Zn3 -","- C16 H12 O16 P2 Zn3 -","- C128 H96 O128 P16 Zn24 -","8","0.5","","Yun Ling; Mingli Deng; Zhenxia Chen; Bing Xia; Xiaofeng Liu; Yongtai Yang; Yaming Zhou; Linhong Weng","Enhancing CO2 adsorption of a Zn_phosphonocarboxylate framework by pore space partitions","Chem.Commun.","2013","49","","78","","10.1039/c2cc37174j","","","0.71073","MoKα","","0.0458","0.0402","","","0.1471","0.1489","","","","","","1.187","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108702","18.45","0.004","18.45","0.004","23.201","0.007","90","","90","","90","","7898","3","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C20 H24 N O19 P2 Zn3 -","- C20 H24 N O19 P2 Zn3 -","- C160 H192 N8 O152 P16 Zn24 -","8","0.5","","Yun Ling; Mingli Deng; Zhenxia Chen; Bing Xia; Xiaofeng Liu; Yongtai Yang; Yaming Zhou; Linhong Weng","Enhancing CO2 adsorption of a Zn_phosphonocarboxylate framework by pore space partitions","Chem.Commun.","2013","49","","78","","10.1039/c2cc37174j","","","0.71073","MoKα","","0.0696","0.0558","","","0.1367","0.1426","","","","","","0.993","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108703","18.453","0.007","18.453","0.007","23.283","0.012","90","","90","","90","","7928","6","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C21 H31 N O20 P2 Zn3 -","- C21 H18 N O20 P2 Zn3 -","- C168 H144 N8 O160 P16 Zn24 -","8","0.5","","Yun Ling; Mingli Deng; Zhenxia Chen; Bing Xia; Xiaofeng Liu; Yongtai Yang; Yaming Zhou; Linhong Weng","Enhancing CO2 adsorption of a Zn_phosphonocarboxylate framework by pore space partitions","Chem.Commun.","2013","49","","78","","10.1039/c2cc37174j","","","0.71073","MoKα","","0.0724","0.0534","","","0.1496","0.1561","","","","","","1.006","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7109143","26.671","0.004","26.671","0.004","30.26","0.006","90","","90","","90","","21525","6","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C5 H30 Ce2 Mn N O49 V13 -","- C5 Ce2 Mn N O49 V13 -","- C40 Ce16 Mn8 N8 O392 V104 -","8","0.5","","Ding Liu; Ying Lu; Hua-Qiao Tan; Wei-Lin Chen; Zhi-Ming Zhang; Yang-Guang Li; En-Bo Wang","Polyoxometalate-based purely inorganic porous frameworks with selective adsorption and oxidative catalysis functionalities","Chem.Commun.","2013","49","","3673","","10.1039/c3cc40990b","","","0.71073","MoKα","","0.0621","0.0526","","","0.1412","0.1457","","","","","","1.025","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109144","26.725","0.004","26.725","0.004","30.487","0.006","90","","90","","90","","21775","6","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C5 H30 La2 Mn N O49 V13 -","- C5 La2 Mn N O49 V13 -","- C40 La16 Mn8 N8 O392 V104 -","8","0.5","","Ding Liu; Ying Lu; Hua-Qiao Tan; Wei-Lin Chen; Zhi-Ming Zhang; Yang-Guang Li; En-Bo Wang","Polyoxometalate-based purely inorganic porous frameworks with selective adsorption and oxidative catalysis functionalities","Chem.Commun.","2013","49","","3673","","10.1039/c3cc40990b","","","0.71073","MoKα","","0.0738","0.0584","","","0.1492","0.1561","","","","","","1.024","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7110460","14.814","0.003","14.814","0.003","15.712","0.005","90","","90","","90","","3448.1","1.5","291.2","","291.2","","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C20 H20 Cu6 I4 Mo N4 S4 -","- C80 Cu90 I6 Mo1.25 N16 S80 -","- C320 Cu360 I24 Mo5 N64 S320 -","4","0.25","","Hou, Hongwei; Fan, Yaoting; Du, Chenxia; Zhu, Yu; Wang, Wenling; Xin, Xinquan; Low, Michael K. M.; Ji, Wei; Ang, How Ghee","Strong optical limiting (OL) capability of the two-dimensional network cluster polymer [MoS4Cu6I4(py)4]n","Chemical Communications","1999","","7","647","","10.1039/a900518h","","","0.7107","MoKα","","0.0604","0.0428","","0.047","0.0416","","","","1.077","1.037","1.037","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114148","21.351","0.003","21.351","0.003","6.9183","0.0015","90","","90","","90","","3153.8","0.9","200","2","200","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","[Zn(C6H4O2N)2].CH4O.2H2O","","","- C13 H16 N2 O7 Zn -","- C13 H8.5 N2 O7 Zn -","- C104 H68 N16 O56 Zn8 -","8","0.5","","Rather, Beth; Moulton, Brian; Bailey Walsh, Rosa D.; Zaworotko, Michael J.","A new supramolecular isomer of [Zn(nicotinate)2]n: a novel 42.84 network that is the result of self-assembly of 4-connected nodesElectronic supplementary information (ESI) available: experimental details, TGA and XRPD of all compounds. See http://www.rsc.org/suppdata/cc/b1/b111280p/","Chemical Communications","2002","","7","694","","10.1039/b111280p","","","0.71073","MoKα","","0.0541","0.0449","","","0.1112","0.1134","","","","","","1.152","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114678","21.479","0.002","21.479","0.002","29.303","0.003","90","","90","","90","","13519","2","223","2","223","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C44 H57 B3 Cl Cu2 F12 N8 O8.5 -","- C44 H40 B3 Cl Cu2 F12 N8 O6.5 -","- C352 H320 B24 Cl8 Cu16 F96 N64 O52 -","8","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","Interlinked molecular squares with [Cu(2,2′-bipy)]2+ corners generating a three-dimensional network of unprecedented topological type","Chemical Communications","2001","","13","1198","","10.1039/b103736f","","","0.71073","MoKα","","0.179","0.0982","","0.3268","0.245","","","","1.097","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116639","46.154","0.007","46.154","0.007","49.592","0.01","90","","90","","90","","105640","3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C256 H208 Ir6 N26 O4 -","- C256 H208 Ir6 N26 O4 -","- C4096 H3328 Ir96 N416 O64 -","16","1","","Nem Singh; Jae-Ho Jo; Young Ho Song; Hyunuk Kim; Dongwook Kim; Myoung Soo Lah; Ki-Whan Chi","Coordination-driven self-assembly of an iridium-cornered prismatic cage and encapsulation of three heteroguests in its large cavity","Chem.Commun.","2015","51","","4492","","10.1039/C4cc09494H","","","0.61","synchrotron","","0.0982","0.0711","","","0.1888","0.2027","","","","","","0.922","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7116743","32.759","0.005","32.759","0.005","29.376","0.006","90","","90","","90","","31525","9","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C69 H118 N12 Na7 -","- C69 H118 N12 Na7 -","- C1104 H1888 N192 Na112 -","16","1","","Andreas Stascha","A pyrazolate-stabilized sodium hydride complex","Chem.Commun.","2015","51","","5056","","10.1039/C5cc00996K","","","0.7108","synchrotron","","0.0547","0.0539","","","0.1389","0.1398","","","","","","1.065","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7117616","28.708","0.003","28.708","0.003","3.5249","0.0003","90","","90","","90","","2905","0.5","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H17 Ag6 Cl N12 O -","- C12 H17 Ag6 Cl N12 O -","- C48 H68 Ag24 Cl4 N48 O4 -","4","0.25","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.0619","0.0545","","","0.1605","0.1659","","","","","","1.096","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7117620","28.503","0.003","28.503","0.003","3.5383","0.0005","90","","90","","90","","2874.6","0.6","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H17 Ag6 Br N12 O -","- C12 H17 Ag6 Br N12 O -","- C48 H68 Ag24 Br4 N48 O4 -","4","0.25","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71","MoKα","","0.2386","0.1793","","","0.3341","0.3731","","","","","","1.092","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7119177","13.0691","0.0004","13.0691","0.0004","30.157","0.001","90","","90","","90","","5150.9","0.3","300","","300","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","potassium cobalt (II) citrate, UTSA-16","","- C12 H8 Co3 K O20 -","- C12 H8 Co3 K O20 -","- C96 H64 Co24 K8 O160 -","8","0.5","","Jack Binns; Konstantin V. Kamenev; Katie E. R. Marriott; Garry J. McIntyre; Stephen A. Moggach; Mark Murrie; Simon Parsons","A non-topological mechanism for negative linear compressibility","Chem.Commun.","2016","52","","7486","","","","","0.71073","MoKα","","0.0389","0.0352","","0.0961","0.0893","0.0893","","","","","","0.9014","","","","has coordinates","186029","2020-10-21","18:00:00",""
"7119178","13.0005","0.0005","13.0005","0.0005","30.2002","0.0011","90","","90","","90","","5104.2","0.3","293","","293","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","potassium cobalt (II) citrate, UTSA-16","","- C12 H8 Co3 K O18 -","- C12 H8 Co3 K O18 -","- C96 H64 Co24 K8 O144 -","8","0.5","","Jack Binns; Konstantin V. Kamenev; Katie E. R. Marriott; Garry J. McIntyre; Stephen A. Moggach; Mark Murrie; Simon Parsons","A non-topological mechanism for negative linear compressibility","Chem.Commun.","2016","52","","7486","","","","","0.71073","MoKα","","0.0866","0.0576","","0.3531","0.1485","0.1485","","","","","","0.9537","","","","has coordinates","186029","2020-10-21","18:00:00",""
"7119179","12.8201","0.0005","12.8201","0.0005","30.2685","0.0012","90","","90","","90","","4974.8","0.3","293","","293","","","","0.5","","","","","5","I -4 2 d","I -4 2bw","122","","potassium cobalt (II) citrate, UTSA-16","","- C12 H8 Co3 K O18 -","- C12 H8 Co3 K O18 -","- C96 H64 Co24 K8 O144 -","8","0.5","","Jack Binns; Konstantin V. Kamenev; Katie E. R. Marriott; Garry J. McIntyre; Stephen A. Moggach; Mark Murrie; Simon Parsons","A non-topological mechanism for negative linear compressibility","Chem.Commun.","2016","52","","7486","","","","","0.71073","MoKα","","0.091","0.0672","","0.2657","0.1806","0.169","","","","","","1.0214","","","","has coordinates","186029","2020-10-21","18:00:00",""
"7119180","12.6111","0.0005","12.6111","0.0005","30.2999","0.0011","90","","90","","90","","4818.9","0.3","293","","293","","","","1","","","","","5","I -4 2 d","I -4 2bw","122","","potassium cobalt (II) citrate, UTSA-16","","- C12 H8 Co3 K O18 -","- C12 H8 Co3 K O18 -","- C96 H64 Co24 K8 O144 -","8","0.5","","Jack Binns; Konstantin V. Kamenev; Katie E. R. Marriott; Garry J. McIntyre; Stephen A. Moggach; Mark Murrie; Simon Parsons","A non-topological mechanism for negative linear compressibility","Chem.Commun.","2016","52","","7486","","","","","0.71073","MoKα","","0.1068","0.0774","","0.2688","0.2027","0.1949","","","","","","1.0185","","","","has coordinates","186029","2020-10-21","18:00:00",""
"7119676","28.2219","0.0017","28.2219","0.0017","9.7266","0.0012","90","","90","","90","","7747","1.2","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C68 H78 N8 O28 Zn3 -","- C68 H78 N8 O28 Zn3 -","- C272 H312 N32 O112 Zn12 -","4","0.25","","Jun-Cheng Jin; Ju Wu; Guo-Ping Yang; Yun-Long Wu; Yao-Yu Wang","A microporous anionic metal-organic framework for a highly selective and sensitive electrochemical sensor of Cu2+ ions","Chem.Commun.","2016","52","","8475","","","","","0.71073","MoKα","","0.0618","0.0548","","","0.1461","0.1509","","","","","","1.043","","","","has coordinates,has disorder","192270","2020-10-21","18:00:00",""
"7119752","38.8511","0.0003","38.8511","0.0003","18.7521","0.0008","90","","90","","90","","28304.6","1.2","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C105 H168 N22 O52 Zr6 -","- C57 H36 N6 O34 Zr6 -","- C456 H288 N48 O272 Zr48 -","8","0.5","","Liu, Chun-Sen; Zhang, Zhi-Hong; Chen, Min; Zhao, Hui; Duan, Feng-He; Chen, Di-Ming; Wang, Ming-Hua; Zhang, Shuai; Du, Miao","Pore modulation of zirconium-organic frameworks for high-efficiency detection of trace proteins.","Chemical communications (Cambridge, England)","2017","53","28","3941","","10.1039/c7cc00029d","","","1.54178","CuKα","","0.0934","0.0494","","","0.1159","0.1422","","","","","","0.954","","","","has coordinates,has disorder","194923","2020-10-21","18:00:00",""
"7119753","38.9025","0.0007","38.9025","0.0007","18.9223","0.0011","90","","90","","90","","28637.1","1.8","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C104 H145 N19 O55 Zr6 -","- C74 H39 N9 O34 Zr6 -","- C592 H312 N72 O272 Zr48 -","8","0.5","","Liu, Chun-Sen; Zhang, Zhi-Hong; Chen, Min; Zhao, Hui; Duan, Feng-He; Chen, Di-Ming; Wang, Ming-Hua; Zhang, Shuai; Du, Miao","Pore modulation of zirconium-organic frameworks for high-efficiency detection of trace proteins.","Chemical communications (Cambridge, England)","2017","53","28","3941","","10.1039/c7cc00029d","","x-ray","1.54184","CuKα","","0.0648","0.0558","","","0.1513","0.1611","","","","","","1.02","","","","has coordinates,has disorder","194923","2020-10-21","18:00:00",""
"7119974","26.644","0.003","26.644","0.003","27.368","0.003","90","","90","","90","","19429","4","100","","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C51 H96 Co3 Gd3 N6 O32 -","- C51 H96 Co3 Gd3 N6 O32 -","- C408 H768 Co24 Gd24 N48 O256 -","8","0.5","","Ojea, María José Heras; Lorusso, Giulia; Craig, Gavin A.; Wilson, Claire; Evangelisti, Marco; Murrie, Mark","A topologically unique alternating {CoGd} magnetocaloric ring.","Chemical communications (Cambridge, England)","2017","53","35","4799","4802","10.1039/c7cc02243c","","x-ray","0.71073","MoKα","","0.049","0.0353","","","0.0838","0.0967","","","","","","1.168","","","","has coordinates,has disorder","196298","2020-10-21","18:00:00",""
"7122003","22.4423","0.0011","22.4423","0.0011","20.6438","0.001","90","","90","","90","","10397.4","0.9","150","2","150","2","","","","","","","","9","I -4 2 d","I -4 2bw","122","","","","- C40 H40 B4 Cu2 F14 N12 O4.5 P S4 -","- C40 H40 B4 Cu2 F14 N12 O4.5 P S4 -","- C320 H320 B32 Cu16 F112 N96 O36 P8 S32 -","8","0.5","","Faulkner, Robert A.; Patmore, Nathan J.; Rice, Craig R.; Slater, Christopher","Dihydrogen phosphate-containing dinuclear double assemblies that demonstrate phosphate reactivity to the tetrafluoroborate anion.","Chemical communications (Cambridge, England)","2018","54","66","9159","9162","10.1039/c8cc04900a","","","0.71073","MoKα","","0.1445","0.0804","","","0.219","0.2635","","","","","","1.026","","","","has coordinates,has disorder","228341","2020-10-21","18:00:00",""
"7122848","22.7748","0.0002","22.7748","0.0002","22.9902","0.0003","90","","90","","90","","11924.8","0.2","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C48 H60 F12 N4 O10 P2 -","- C48 H60 F12 N4 O10 P2 -","- C384 H480 F96 N32 O80 P16 -","8","0.5","","Foster, Mathew W.; Mehl, Benjamin T.; Treadwell, Ed; Semeniuc, Radu F.; Wheeler, Kraig A.","Benzobis(imidazolium) salts as templates for the self-assembly of starburst [24]pseudorotaxanes and their corresponding carbene-based classic [22]pseudorotaxanes","Chemical Communications","2019","","","","","10.1039/C8CC09936G","","","1.54178","CuKα","","0.0701","0.0623","","","0.1801","0.1866","","","","","","1.061","","","","has coordinates","213165","2020-10-21","18:00:00",""
"7124369","32.6797","0.0002","32.6797","0.0002","13.5625","0.0002","90","","90","","90","","14484.2","0.2","293","1","293","1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C33 H29 N15.5 O10.5 Zn0.25 -","- C33 H29 N15.5 O10.5 Zn0.25 -","- C528 H464 N248 O168 Zn4 -","16","1","","Yang, Xue; Giorgi, Michel; Karoui, Hakim; Gigmes, Didier; Hornebecq, Virginie; Ouari, Olivier; Kermagoret, Anthony; Bardelang, David","A single-crystal-to-single-crystal transformation affording photochromic 3D MORF crystals","Chemical Communications","2019","","","","","10.1039/C9CC07121K","","x-ray","1.54184","CuKα","","0.0547","0.0507","","","0.1429","0.1476","","","","","","1.091","","","","has coordinates","219463","2020-10-21","18:00:00",""
"7126178","22.3365","0.0005","22.3365","0.0005","9.9167","0.0002","90","","90","","90","","4947.63","0.19","296","","296","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C30 H16 N6 -","- C15 H8 N3 -","- C240 H128 N48 -","16","1","","Otani, Takashi; Sasayama, Takuma; Iwashimizu, Chisaki; Kanyiva, Kyalo Stephen; Kawai, Hidetoshi; Shibata, Takanori","Short-step synthesis and chiroptical properties of polyaza[5]-[9]helicenes with blue to green-colour emission.","Chemical communications (Cambridge, England)","2020","56","32","4484","4487","10.1039/d0cc01194k","","","1.54187","CuKα","","0.0626","0.0623","","","0.1996","0.2002","","","","","","1.051","","","","has coordinates","251550","2020-10-21","18:00:00",""
"7130975","10.0687","0.0004","10.0687","0.0004","20.8088","0.0007","90","","90","","90","","2109.57","0.14","120","2","119.98","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H28 N4 S4 Sn Zn2 -","- C12 H28 N4 S4 Sn Zn2 -","- C48 H112 N16 S16 Sn4 Zn8 -","4","0.25","","Lin-Mei, Zhang; Kong, Yinan; Zhou, Rui; Yuan, Shang-Fu; Wu, Tao","X-ray photochromism of chalcogenide frameworks linked with metal-amine chelates","Chemical Communications","2022","","","","","10.1039/D2CC05407H","","","0.71073","MoKα","","0.03","0.0254","","","0.0549","0.0588","","","","","","1.13","","","","has coordinates","279159","2022-11-09","22:57:38",""
"7130976","13.44118","0.00007","13.44118","0.00007","14.28207","0.00011","90","","90","","90","","2580.27","0.03","100","0.1","100","0.1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C16 H36 N4 S4 Sn Zn2 -","- C16 H36 N4 S4 Sn Zn2 -","- C64 H144 N16 S16 Sn4 Zn8 -","4","0.25","","Lin-Mei, Zhang; Kong, Yinan; Zhou, Rui; Yuan, Shang-Fu; Wu, Tao","X-ray photochromism of chalcogenide frameworks linked with metal-amine chelates","Chemical Communications","2022","","","","","10.1039/D2CC05407H","","x-ray","1.54184","CuKα","","0.0266","0.0266","","","0.0749","0.075","","","","","","1.129","","","","has coordinates","279159","2022-11-09","22:57:38",""
"7132202","19.9274","0.0011","19.9274","0.0011","26.2914","0.0018","90","","90","","90","","10440.3","1.1","100","","100","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C48 H88 N8 O4 S20 Sn10 -","- C48 H88 N8 O4 S20 Sn10 -","- C192 H352 N32 O16 S80 Sn40 -","4","0.25","","Stuhrmann, Gina; Schneider, Jannik; Schmidt, Kilian; Dehnen, Stefanie Susanne","Selective and Benign Alkylation of Sulfido-Oxo Stannate Clusters with Propyl, Pentyl, or Hexyl Substituents","Chemical Communications","2023","","","","","10.1039/D3CC03525E","","x-ray","1.54186","CuKα","","0.0442","0.0371","","","0.0922","0.0944","","","","","","0.936","","","","has coordinates","286881","2023-10-10","21:59:29",""
"7133935","38.8022","0.0008","38.8022","0.0008","12.8725","0.0004","90","","90","","90","","19381","0.8","220","0.1","220","0.1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C60 H38 N5 O25 Zn5.5 -","- C60 H38 N5 O25 Zn5.5 -","- C480 H304 N40 O200 Zn44 -","8","0.5","","Yang, Mei; Yuan, Wenke; Li, Xiu-Yuan; Liu, Bo; Zhou, Huifang","Metal-organic framework with pore contraction and modification by diethylammonium cations for record SO<sub>2</sub>/CO<sub>2</sub> separation.","Chemical communications (Cambridge, England)","2024","60","87","12754","12757","10.1039/d4cc04382k","","x-ray","1.54178","CuKα","","0.0641","0.0517","","","0.1385","0.1482","","","","","","1.021","","","","has coordinates,has disorder","295748","2024-11-04","05:58:18",""
"7153304","15.0677","0.0009","15.0677","0.0009","13.8543","0.0017","90","","90","","90","","3145.4","0.5","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C44 H32 N4 O -","- C44 H32 N4 O -","- C176 H128 N16 O4 -","4","0.25","","Samankumara, Lalith P.; Zeller, Matthias; Krause, Jeanette A.; Brückner, Christian","Syntheses, structures, modification, and optical properties of meso-tetraaryl-2,3-dimethoxychlorin, and two isomeric meso-tetraaryl-2,3,12,13-tetrahydroxybacteriochlorins.","Organic & biomolecular chemistry","2010","8","8","1951","1965","10.1039/b924539a","","","0.71073","MoKα","","0.0473","0.0402","","","0.1117","0.1191","","","","","","1.061","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7200314","15.203","0.002","15.203","0.002","5.019","0.001","90","","90","","90","","1160","0.3","291","2","291","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4 H6 Ag N3 -","- C4 H6 Ag N3 -","- C32 H48 Ag8 N24 -","8","0.5","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0266","0.0253","","","0.0553","0.0559","","","","","","1.048","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200318","13.6784","0.0019","13.6784","0.0019","39.742","0.008","90","","90","","90","","7436","2","298","2","298","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C14 H10 Ag N3 -","- C14 H10 Ag N3 -","- C336 H240 Ag24 N72 -","24","1.5","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0327","0.0304","","","0.0683","0.0693","","","","","","1.156","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7201022","13.335","0.002","13.335","0.002","31.626","0.008","90","","90","","90","","5623.8","1.9","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C52 H56.5 Cl0.5 Cu2 N6 O22.5 -","- C52 H40 Cl0.5 Cu2 N6 O22.5 -","- C208 H160 Cl2 Cu8 N24 O90 -","4","0.25","","Zhang, Hai-Xia; Yao, Qing-Xia; Jin, Xu-Hui; Ju, Zhan-Feng; Zhang, Jie","An unprecedented 9-fold [3 ×3] interpenetrated diamondoid network coordination polymer containing Cu(II)-based “paddlewheels” as connecting node","CrystEngComm","2009","11","9","1807","","10.1039/b903214b","","","0.71073","MoKα","","0.0692","0.0674","","","0.1942","0.198","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202616","21.923","0.001","21.923","0.001","14.7289","0.0008","90","","90","","90","","7079","0.6","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C36 H30 I2 N2 O2 Zn -","- C36 H30 I2 N2 O2 Zn -","- C288 H240 I16 N16 O16 Zn8 -","8","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network","CrystEngComm","2007","9","4","313","","10.1039/b616955d","","","0.71073","MoKα","","0.1051","0.0989","","","0.2787","0.2922","","","","","","1.403","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202957","19.827","0.002","19.827","0.002","22.206","0.003","90","","90","","90","","8729.4","1.7","103","2","103","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C45 H34 Au2 Cl2 F6 N2 O4 P2 -","- C45 H34 Au2 Cl2 F6 N2 O4 P2 -","- C360 H272 Au16 Cl16 F48 N16 O32 P16 -","8","0.5","","Deák, Andrea; Tunyogi, Tünde; Tárkányi, Gábor; Király, Péter; Pálinkás, Gábor","Self-assembly of gold(i) with diphosphine and bitopic nitrogen donor linkers in the presence of trifluoroacetate anion: formation of coordination polymer versus discrete macrocycle","CrystEngComm","2007","9","8","640","","10.1039/b707579k","","","0.71073","MoKα","","0.0655","0.0634","","","0.136","0.1371","","","","","","1.207","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7203915","13.314","0.0019","13.314","0.0019","6.8188","0.0014","90","","90","","90","","1208.7","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","AlGe-NATROLITE","","","- Al1.87 Ge2.8 H2 Na2 O11.2 -","- Al1.865 Ge2.8 Na2 O12 -","- Al7.46 Ge11.2 Na8 O48 -","4","0.25","","Tripathi, Akhilesh; Johnson, Geoffrey M.; Jin Kim, Sun; Parise, John B.","Na2Al2Ge3O10·2H2O: an aluminogermanate with the tetranatrolite topology","Journal of Materials Chemistry","2000","10","2","451","","10.1039/a907933e","","","0.71073","MoKα","","0.0496","0.0463","","","0.1118","0.1132","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209361","6.5275","","6.5275","","8.55","","90","","90","","90","","364.301","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Ag2 Si.962 P1.962","","- Ag2 P1.962 Si0.962 -","- Ag2 P1.962 Si0.962 -","- Ag8 P7.848 Si3.848 -","4","0.25","","Jeitschko, W.; Kaiser, P.","Preparation and crystal structures of the ternary compounds Ag2 Si P2 and Au Si P","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","462","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209737","11.8179","0.001","11.8179","0.001","37.714","0.005","90","","90","","90","","5267.2","0.9","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C20 H25 Co N4 O11 -","- C20 H13 Co N4 O11 -","- C160 H104 Co8 N32 O88 -","8","0.5","","Liu, Yong-Liang; Yue, Ke-Fen; Li, Dong-Sheng; Yu, Yang; Hou, Lei; Wang, Yao-Yu","The first one-fold inclined 1D →3D polycatenation assembly from unique interweaving triple-stranded helices","CrystEngComm","2013","15","15","2791","","10.1039/c3ce27061k","","","0.71073","MoKα","","0.1195","0.0659","","","0.1745","0.2097","","","","","","1.012","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209777","22.3139","0.0002","22.3139","0.0002","43.2016","0.0008","90","","90","","90","","21510.5","0.5","130","2","130","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C200 H240 Cd7 Cl2 N16 O68 -","- C200 H240 Cd7 Cl2 N16 O68 -","- C800 H960 Cd28 Cl8 N64 O272 -","4","0.25","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.1195","0.0526","","","0.1176","0.1295","","","","","","0.817","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7210053","13.616","0.0002","13.616","0.0002","42.9496","0.0015","90","","90","","90","","7962.7","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C60 H56 Cd4 N32 O32 -","- C60 H56 Cd4 N32 O32 -","- C240 H224 Cd16 N128 O128 -","4","0.25","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0731","0.0567","","","0.1425","0.1475","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210188","7.213","0.003","7.213","0.003","13.987","0.01","90","","90","","90","","727.7","0.7","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- B O8 P2 Pb Rb -","- B O8 P2 Pb Rb -","- B4 O32 P8 Pb4 Rb4 -","4","0.25","","Wang, Ying; Pan, Shilie; Zhang, Min; Han, Shujuan; Su, Xin; Dong, Lingyun","Synthesis, crystal growth and characterization of a new noncentrosymmetric borophosphate: RbPbBP2O8","CrystEngComm","2013","15","24","4956","","10.1039/c3ce40394g","","","0.71073","MoKα","","0.0333","0.0299","","","0.0737","0.0762","","","","","","1.088","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7211610","13.9901","0.0007","13.9901","0.0007","18.2013","0.0018","90","","90","","90","","3562.4","0.4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C16 H32 La2 O28 Pb -","- C16 H16 La2 O28 Pb -","- C64 H64 La8 O112 Pb4 -","4","0.25","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0261","0.024","","","0.0755","0.0759","","","","","","1.179","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212610","16.007","0.0004","16.007","0.0004","24.156","0.001","90","","90","","90","","6189.3","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H16 Cd N4 O6 -","- C12 H16 Cd N4 O6 -","- C192 H256 Cd16 N64 O96 -","16","1","","Sang, Rui-Li; Xu, Li","Helix-based supramolecular isomerism of metal‒organic framework","CrystEngComm","2010","12","11","3579","","10.1039/c002677h","","","0.71073","MoKα","","0.0316","0.0311","","","0.071","0.0713","","","","","","1.073","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212706","21.118","0.0004","21.118","0.0004","9.4092","0.0003","90","","90","","90","","4196.22","0.17","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C18 H16 Ca O12 Pb -","- C18 H16 Ca O12 Pb -","- C144 H128 Ca8 O96 Pb8 -","8","0.5","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0292","0.029","","","0.0729","0.0733","","","","","","1.047","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7213905","21.769","0.002","21.769","0.002","44.426","0.009","90","","90","","90","","21053","5","296","2","296","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C168 H148 Cd7 N4 Na2 O60 -","- C168 H145 Cd7 N4 Na2 O60 -","- C672 H580 Cd28 N16 Na8 O240 -","4","0.25","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0635","0.0565","","","0.1642","0.1703","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213933","15.8904","0.0003","15.8904","0.0003","29.0281","0.001","90","","90","","90","","7329.7","0.3","298","","298","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C33 H34 Cd2 N10 O10 -","- C33 H34 Cd2 N10 O10 -","- C264 H272 Cd16 N80 O80 -","8","0.5","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0292","0.0238","","","0.0505","0.0531","","","","","","1.053","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7214632","22.18","0.003","22.18","0.003","43.666","0.009","90","","90","","90","","21482","6","291","2","291","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C201 H288 Cd7 N18 O83 -","- C172 H192 Cd7 N6 O72 -","- C688 H768 Cd28 N24 O288 -","4","0.25","","Xu, Heng; Bao, Weiwei; Xu, Yan; Liu, Xiaolan; Shen, Xuan; Zhu, Dunru","An unprecedented 3D/3D hetero-interpenetrated MOF built from two different nodes, chemical composition, and topology of networks","CrystEngComm","2012","14","18","5720","","10.1039/c2ce25739d","","","0.71073","MoKα","","0.0588","0.0514","","","0.1225","0.1262","","","","","","1.059","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214647","12.9479","0.0009","12.9479","0.0009","40.274","0.003","90","","90","","90","","6751.9","0.8","120","1","120","1","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C48 H56 B4 Cu4 F16 N16 O8 -","- C48 H44 B4 Cu4 F16 N16 O8 -","- C192 H176 B16 Cu16 F64 N64 O32 -","4","0.25","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.71073","MoKα","","0.0442","0.042","","","0.1157","0.1179","","","","","","1.046","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214923","25.4025","0.0002","25.4025","0.0002","46.8244","0.0004","90","","90","","90","","30215.2","0.4","150","2","150","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C63 H83 Cl4 N10 O3.5 Pt2 S4 Zn2 -","- C63 H83 Cl4 N10 O3.5 Pt2 S4 Zn2 -","- C1008 H1328 Cl64 N160 O56 Pt32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0655","0.0446","","","0.1157","0.1247","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214924","25.6733","0.001","25.6733","0.001","47.043","0.004","90","","90","","90","","31007","3","150","2","150","2","","","","","","","","9","I -4 2 d","I -4 2bw","122","","","","- C64 H83.5 Br4 Cl N10.5 O3 Pt2 S4 Zn2 -","- C64 H82.5 Br4 Cl N10.5 O3 Pt2 S4 Zn2 -","- C1024 H1320 Br64 Cl16 N168 O48 Pt32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0639","0.0452","","","0.1117","0.1267","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214927","25.4591","0.0007","25.4591","0.0007","46.7498","0.0013","90","","90","","90","","30301.6","1.4","150","2","150","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C65 H86 Cl4 N11 O3.5 Pd2 S4 Zn2 -","- C65 H85 Cl4 N11 O3.5 Pd2 S4 Zn2 -","- C1040 H1360 Cl64 N176 O56 Pd32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0958","0.0782","","","0.1553","0.1621","","","","","","1.261","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215308","18.0847","0.0008","18.0847","0.0008","9.9217","0.0009","90","","90","","90","","3245","0.4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","cadmium 2-nitroimidazolate","","","- C4.5 H3 Cd0.75 N4.5 O3 -","- C4.5 H3 Cd0.75 N4.5 O3 -","- C72 H48 Cd12 N72 O48 -","16","1","","Li, Yan-Tao; Yao, Shi-Yan; Wang, Yan; Cui, Ke-Hui; Li, Hai-Qin; Wang, Xin; Zhu, Jian-Qi; Li, Jia; Tian, Yun-Qi","A novel cadmium imidazolate framework (CdIF) with ice-XII structure of itv topology","CrystEngComm","2011","13","10","3470","","10.1039/c1ce05055a","","","0.71073","MoKα","","0.0338","0.0255","","","0.0623","0.0668","","","","","","0.812","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216410","5.9041","0.0008","5.9041","0.0008","10.499","0.002","90","","90","","90","","365.98","0.1","93","2","93","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Ag3 Ga3 Se8 Si -","- Ag3 Ga3 Se8 Si -","- Ag3 Ga3 Se8 Si -","1","0.0625","","Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Feng, Kai; Yao, Jiyong; Huang, Fuqiang; Wu, Yicheng","Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure","CrystEngComm","2014","16","30","6836","","10.1039/C4CE00817K","","","0.71073","MoKα","","0.0315","0.0273","","","0.0547","0.0558","","","","","","1.134","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216573","19.013","0.002","19.013","0.002","14.026","0.004","90","","90","","90","","5070.3","1.6","223","","223","","","","","","","","see paper","6","I -4 2 d","I -4 2bw","122","Compound 5","tris(rac-trans-1,2-diaminocyclohexane)chromium(III) trichloride dihydrate","","- C18 H46 Cl3 Cr N6 O2 -","- C18 H46 Cl3 Cr N6 O2 -","- C144 H368 Cl24 Cr8 N48 O16 -","8","0.5","","Kalf, Irmgard; Calmuschi, Beatrice; Englert, Ulli","Chiral Cr(iii) and Co(iii) complex cations as building blocks for ordered and disordered salts","CrystEngComm","2002","4","91","548","","10.1039/b207786h","","","0.71073","Mo-Kα","","0.0357","0.0333","","","0.084","0.0848","","","","","","1.048","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7217266","19.11","0.002","19.11","0.002","17.309","0.002","90","","90","","90","","6321.1","1.2","150","2","150","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C64 H66 Cd Cl4 O8 P4 -","- C64 H66 Cd Cl4 O8 P4 -","- C256 H264 Cd4 Cl16 O32 P16 -","4","0.25","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0463","0.0332","","","0.0616","0.0648","","","","","","0.931","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217695","19.586","0.003","19.586","0.003","24.077","0.005","90","","90","","90","","9236","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 N8 O12 Zn -","- C34 H30 N8 O12 Zn -","- C272 H240 N64 O96 Zn8 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.1172","0.0787","","","0.2072","0.2292","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217699","19.379","0.003","19.379","0.003","23.744","0.005","90","","90","","90","","8917","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 Cu N8 O12 -","- C34 H30 Cu N8 O12 -","- C272 H240 Cu8 N64 O96 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.163","0.0913","","","0.2315","0.2719","","","","","","1.021","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217700","19.642","0.003","19.642","0.003","23.896","0.005","90","","90","","90","","9219","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 Co N8 O12 -","- C34 H30 Co N8 O12 -","- C272 H240 Co8 N64 O96 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0733","0.0636","","","0.1776","0.1843","","","","","","1.017","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7218733","17.212","0.003","17.212","0.003","28.578","0.007","90","","90","","90","","8466","3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C36 H82 O62 Sr3 U6 -","- C36 H82 O62 Sr3 U6 -","- C144 H328 O248 Sr12 U24 -","4","0.25","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0818","0.0792","","","0.1829","0.184","","","","","","1.593","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7222765","9.6922","","9.6922","","8.9015","","90","","90","","90","","836.196","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Hg (C N)2","","- C2 Hg N2 -","- C2 Hg N2 -","- C16 Hg8 N16 -","8","0.5","","Reckeweg, O.; Simon, A.","X-ray and Raman investigations on cyanides of mono- and divalent metals and synthesis, crystal structure and Raman spectrum of Tl5 (C O3)2 (C N)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","895","900","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223584","24.958","0.003","24.958","0.003","13.8496","0.0019","90","","90","","90","","8626.9","1.9","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag F6 N4 O3 S4 Sb -","- C30 H36 Ag F6 N4 O3 S4 Sb -","- C240 H288 Ag8 F48 N32 O24 S32 Sb8 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1457","0.1092","","","0.3064","0.332","","","","","","1.005","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223585","24.2538","0.0009","24.2538","0.0009","13.6809","0.0005","90","","90","","90","","8047.7","0.5","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag F6 N4 O3 P S4 -","- C30 H36 Ag F6 N4 O3 P S4 -","- C240 H288 Ag8 F48 N32 O24 P8 S32 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0535","0.0495","","","0.1563","0.1644","","","","","","1.009","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223587","24.4165","0.0008","24.4165","0.0008","13.7457","0.0004","90","","90","","90","","8194.7","0.4","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag As F6 N4 O3 S4 -","- C30 H36 Ag As F6 N4 O3 S4 -","- C240 H288 Ag8 As8 F48 N32 O24 S32 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0602","0.0485","","","0.1444","0.1516","","","","","","1.008","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7224369","25.493","0.004","25.493","0.004","9.1268","0.0018","90","","90","","90","","5931.4","1.8","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H19 Cu2 Gd I2 N4 O7 -","- C21 H14 Cu2 Gd I2 N4 O7 -","- C168 H112 Cu16 Gd8 I16 N32 O56 -","8","0.5","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0326","0.0317","","","0.0797","0.0803","","","","","","1.055","","","","has coordinates,has disorder","185290","2020-10-21","18:00:00",""
"7224484","13.257","0.0005","13.257","0.0005","31.1199","0.0014","90","","90","","90","","5469.3","0.4","170","2","170","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C26 H20 Br Cu N2 O4 -","- C26 H20 Br Cu N2 O4 -","- C208 H160 Br8 Cu8 N16 O32 -","8","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0969","0.0652","","","0.192","0.2188","","","","","","1.038","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7226463","28.166","0.003","28.166","0.003","9.7199","0.0009","90","","90","","90","","7711","1.4","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H50 N4 O24 Zn3 -","- C56 H50 N4 O24 Zn3 -","- C224 H200 N16 O96 Zn12 -","4","0.25","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.069","0.062","","","0.1621","0.1664","","","","","","1.051","","","","has coordinates","188091","2020-10-21","18:00:00",""
"7226464","29.22","0.002","29.22","0.002","9.3882","0.0009","90","","90","","90","","8015.7","1.1","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C60 H64 Cd3 N6 O24 -","- C60 H64 Cd3 N6 O24 -","- C240 H256 Cd12 N24 O96 -","4","0.25","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.069","0.0505","","","0.1257","0.1361","","","","","","1.018","","","","has coordinates,has disorder","188091","2020-10-21","18:00:00",""
"7228505","7.467","0.004","7.467","0.004","21.445","0.011","90","","90","","90","","1195.7","1.1","","","163","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- H18 O12 S -","- H18 O12 S -","- H72 O48 S4 -","4","0.25","","Mootz, Dietrich; Merschenz-Quack, Angelika","On the highest hydrates of sulfuric acid : formation and structure of H2SO4 . 6.6 H2O and H2SO4 . 8 H2O","Zeitschrift fur Naturforschung B","1987","42","","1231","1236","10.1515/znb-1987-1004","","x-ray","0.71069","MoKα","","0.025","0.022","","","0.031","0.031","","","","","","","","","","has coordinates","197886","2020-10-21","18:00:00",""
"7229068","19.5137","0.0006","19.5137","0.0006","22.1533","0.0016","90","","90","","90","","8435.6","0.7","120","2","120","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C90 H174 N28 Ni O36 -","- C30 H26 N8 Ni O12 -","- C240 H208 N64 Ni8 O96 -","8","0.5","","Pfeiffer, Constance R.; Biggins, Naomi; Lewis, William; Champness, Neil R.","Nickel(ii) metal‒organic frameworks with N,N′-di(4-pyridyl)-naphthalenediimide ligands: influence of secondary building unit geometry on dimensionality and framework dimensions","CrystEngComm","2017","","","","","10.1039/C7CE00956A","","x-ray","1.54184","CuKα","","0.0769","0.0745","","","0.2014","0.2036","","","","","","1.077","","","","has coordinates,has disorder","200193","2020-10-21","18:00:00",""
"7230117","15.8133","0.0005","15.8133","0.0005","20.5773","0.0008","90","","90","","90","","5145.6","0.3","120","","120","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C26 H30 N8 O4 -","- C26 H30 N8 O4 -","- C208 H240 N64 O32 -","8","0.5","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.0376","0.0329","","","0.0788","0.0814","","","","","","1.04","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7232915","18.9128","0.0006","18.9128","0.0006","15.2392","0.0006","90","","90","","90","","5451","0.3","117","2","117","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C14 H40 Mo0.5 N8 Ni O8 -","- C14 H24 Mo0.5 N8 Ni O8 -","- C112 H192 Mo4 N64 Ni8 O64 -","8","0.5","","Heczko, Michał; Sumińska, Ewa; Sieklucka, Barbara; Nowicka, Beata","A two-fold 3D interpenetrating cyanido-bridged network based on the octa-coordinated [Mo(CN)8]4- building block","CrystEngComm","2019","","","","","10.1039/C9CE00851A","","","0.71073","MoKα","","0.0423","0.0346","","","0.0871","0.0908","","","","","","1.054","","","","has coordinates","216088","2020-10-21","18:00:00",""
"7236038","25.1433","0.0007","25.1433","0.0007","10.6879","0.0003","90","","90","","90","","6756.7","0.3","120","2","120","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C30 H24 Co N6 O6 -","- C30 H24 Co N6 O6 -","- C240 H192 Co8 N48 O48 -","8","0.5","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment","RSC Advances","2016","6","30","25149","","10.1039/C5RA26154F","","","0.71073","MoKα","","0.0464","0.0414","","","0.112","0.1174","","","","","","1.073","","","","has coordinates","233857","2020-10-21","18:00:00",""
"7243393","11.4978","0.00015","11.4978","0.00015","5.62608","0.00008","90","","90","","90","","743.764","0.017","300","","300","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B12 Cu5.994 Ni0.006 O24 -","- B12 Cu5.994 Ni0.006 O24 -","- B24 Cu11.988 Ni0.012 O48 -","2","0.125","","Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill","Metastable growth and infrared spectra of CuB2O4:Ni single crystals","CrystEngComm","2021","23","38","6761","6768","10.1039/D1CE00729G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.18","1.58","","","","","","","has coordinates","270449","2021-11-06","19:59:36",""
"7243394","11.49731","0.00009","11.49731","0.00009","5.62593","0.00006","90","","90","","90","","743.681","0.011","300","","300","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B24 Cu11.88 Ni0.12 O48 -","- B24 Cu11.88 Ni0.12 O48 -","- B24 Cu11.88 Ni0.12 O48 -","1","0.0625","","Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill","Metastable growth and infrared spectra of CuB2O4:Ni single crystals","CrystEngComm","2021","23","38","6761","6768","10.1039/D1CE00729G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.38","1.61","","","","","","","has coordinates","270449","2021-11-06","19:59:37",""
"7700292","25.367","0.0004","25.367","0.0004","9.0667","0.0002","90","","90","","90","","5834.28","0.18","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H8 Cu2 Dy I2 N4 O7 -","- C21 H8 Cu2 Dy I2 N4 O7 -","- C168 H64 Cu16 Dy8 I16 N32 O56 -","8","0.5","","Wu, Zhilei; Lan, Xingwang; Zhang, Yaxin; Li, Meng; Bai, Guoyi","Copper(i) iodide cluster-based lanthanide organic frameworks: synthesis and application as efficient catalysts for carboxylative cyclization of propargyl alcohols with CO<sub>2</sub> under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11063","11069","10.1039/c9dt01859j","","","0.71073","MoKα","","0.0322","0.0294","","","0.0635","0.0647","","","","","","1.087","","","","has coordinates,has disorder","223759","2020-10-21","18:00:00",""
"7700593","26.0932","0.0016","26.0932","0.0016","28.933","0.003","90","","90","","90","","19699","3","153","","153","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C128 H120 B2 Cu8 F8 P12 -","- C128 H122 B2 Cu8 F8 P12 -","- C512 H488 B8 Cu32 F32 P48 -","4","0.25","","Nakajima, Takayuki; Nakamae, Kanako; Hatano, Rika; Imai, Kaho; Harada, Masafumi; Ura, Yasuyuki; Tanase, Tomoaki","Tetra-, hexa- and octanuclear copper hydride complexes supported by tridentate phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12050","12059","10.1039/c9dt02467k","","","0.71075","MoKα","","0.0809","0.0721","","","0.2006","0.2177","","","","","","1.129","","","","has coordinates","223919","2020-10-21","18:00:00",""
"7702032","25.967","0.0002","25.967","0.0002","17.976","0.0002","90","","90","","90","","12121","0.19","123","2","123","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C49.2 H57.8 Cl Cu3 N4.6 P6 -","- C49.2 H57.8 Cl Cu3 N4.6 P6 -","- C393.6 H462.4 Cl8 Cu24 N36.8 P48 -","8","0.5","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","x-ray","1.54178","CuKα","","0.1079","0.0952","","","0.2504","0.2604","","","","","","1.053","","","","has coordinates,has disorder","233438","2020-10-21","18:00:00",""
"7702102","9.964","0.003","9.964","0.003","25.113","0.012","90","","90","","90","","2493.3","1.6","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C5 H12 Cl4 Nb S2 -","- C5 H12 Cl4 Nb S2 -","- C40 H96 Cl32 Nb8 S16 -","8","0.5","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0821","0.0521","","","0.1205","0.1338","","","","","","1.038","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7703976","24.0919","0.0002","24.0919","0.0002","23.1592","0.0003","90","","90","","90","","13442.1","0.2","173","","173","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- H28 O50 S8 Ti4 -","- H8 O40 S8 Ti4 -","- H96 O480 S96 Ti48 -","12","0.75","","Liu, Weiming; Liu, Caiyun; Wu, Wenli; Zhang, Guanyun; Zhang, Jian; Tung, Chen-Ho; Wang, Yifeng","Effects of organic ammonium cations on the isolation of {Ti<sub>4</sub>} cyclic clusters from water: an <sup>17</sup>O NMR study.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5957","5964","10.1039/d0dt00165a","","","1.54184","CuKα","","0.0499","0.0439","","","0.1065","0.1175","","","","","","1.082","","","","has coordinates,has disorder","252812","2020-10-21","18:00:00",""
"7704542","14.7446","0.0007","14.7446","","34.4695","0.0018","90","","90","","90","","7493.8","0.5","150","2","150","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C32 H56 N8 S2 -","- C32 H56 N8 S2 -","- C256 H448 N64 S16 -","8","0.5","","Wilson, Joshua; Maxson, Tristan; Wright, Isabelle; Zeller, Matthias; Rosokha, Sergiy V.","Diversity and uniformity in anion-π complexes of thiocyanate with aromatic, olefinic and quinoidal π-acceptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8734","8743","10.1039/d0dt01654c","","","0.71073","MoKα","","0.0674","0.0429","","","0.1091","0.1216","","","","","","1.041","","","","has coordinates,has disorder","253893","2020-10-21","18:00:00",""
"7707167","31.8006","0.0017","31.8006","0.0017","31.382","0.0013","90","","90","","90","","31736","3","110","2","110","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","gaz1_sq (Sreenath)","","","- C56 H55 Cu4 In N8 O12 -","- C56 H55 Cu4 In N8 O12 -","- C896 H880 Cu64 In16 N128 O192 -","16","1","","Pappuru, Sreenath; Idrees, Karam B.; Chen, Zhijie; Shpasser, Dina; Gazit, Oz M.","A rare 4-fold interpenetrated metal-organic framework constructed from an anionic indium-based node and a cationic dicopper linker.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6631","6636","10.1039/d1dt00764e","","","0.71073","MoKα","","0.1396","0.0654","","","0.1601","0.2081","","","","","","1.023","","","","has coordinates","266019","2021-06-05","18:35:30",""
"7707809","10.4935","0.0008","10.4935","0.0008","26.03","0.004","90","","90","","90","","2866.3","0.5","296","2","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Ba F4 O4 P2 -","- Ba F4 O4 P2 -","- Ba16 F64 O64 P32 -","16","1","","Zhang, Wenyao; Jin, Wenqi; Cheng, Meng; Zhang, Ruonan; Yang, Zhihua; Pan, Shilie","From centrosymmetric to noncentrosymmetric: effect of the cation on the crystal structures and birefringence values of (NH<sub>4</sub>)<sub><i>n</i>-2</sub>AE(PO<sub>2</sub>F<sub>2</sub>)<sub><i>n</i></sub> (AE = Mg, Sr and Ba; <i>n</i> = 2, 3 and 4).","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10206","10213","10.1039/d1dt00698c","","","0.71073","MoKα","","0.0174","0.0167","","","0.0371","0.0374","","","","","","1.051","","","","has coordinates,has disorder","268706","2021-09-06","10:53:09",""
"7715890","22.4695","0.0003","22.4695","0.0003","10.1408","0.0005","90","","90","","90","","5119.9","0.3","298.5","0.3","298.5","0.3","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C24 H82 B17 Mg N9 O30 -","- B17 Mg O28 -","- B68 Mg4 O112 -","4","0.25","","Volkov, Sergey; Yukhno, Valentina; Banaru, Alexander; Deyneko, Dina; Aksenov, Sergey; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Antonov, Andrey; Krzhizhanovskaya, Maria; Ugolkov, Valery; Firsova, Vera; Vaitieva, Yulia; Boldyrev, Kirill; Bubnova, Rimma","Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[B<sub>18</sub>φ<sub>34-35</sub>]}-clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8112","8117","10.1039/d3dt04048h","","x-ray","1.54184","CuKα","","0.0435","0.0314","","","0.08","0.0862","","","","","","0.9844","","","","has coordinates","293051","2024-07-05","16:17:18",""
"7716134","21.4111","0.0002","21.4111","0.0002","19.0714","0.0003","90","","90","","90","","8743","0.18","100.1","0.9","100.1","0.9","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C48 H38 Fe3 I2 O4 P2 -","- C48 H38 Fe3 I2 O4 P2 -","- C384 H304 Fe24 I16 O32 P16 -","8","0.5","","Kosińska, Aneta; Jamroz, Daria; Rybarczyk-Pirek, Agnieszka J; Wojtulewski, Sławomir; Palusiak, Marcin; Zakrzewski, Janusz; Rudolf, Bogna","Amine-catalyzed substitution in CpFe(CO)<sub>2</sub>I by phosphine and bisphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9732","9740","10.1039/d4dt00416g","","x-ray","1.54184","CuKα","","0.0426","0.0413","","","0.1075","0.1086","","","","","","1.042","","","","has coordinates,has disorder","293121","2024-07-05","16:47:07",""
"7717276","34.119","0.003","34.119","0.003","15.6274","0.0012","90","","90","","90","","18192","3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C89.5 H112 Al2 Mg N12 -","- C89.5 H112 Al2 Mg N12 -","- C716 H896 Al16 Mg8 N96 -","8","0.5","","Kracht, Felix; Stuhl, Christoph; Maichle-Moessmer, Caecilia; Anwander, Reiner","Reactivity of Mg(AlMe4)2 towards neutral tris(pyrazolyl)alkanes","Dalton Transactions","2024","","","","","10.1039/D4DT02722A","","","0.71073","MoKα","","0.0774","0.057","","","0.129","0.1392","","","","","","1.044","","","","has coordinates,has disorder","295574","2024-10-21","22:55:01",""
"8100591","5.5397","0.0005","5.54","0.0005","11.081","0.002","90.022","0.01","90.001","0.01","90.01","0.01","340.08","0.08","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Cu1.02 In0.91 S2 Zn0.11 -","- Cu1.13 In0.87 S2 -","- Cu4.52 In3.48 S8 -","4","0.25","","Heuer, Matthias; Bente, Klaus","Crystal structure of copper(I) zinc indium disulfide, (Cu~1.02~Zn~0.11~) In~0.87~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","13","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103219","13.6758","0.0007","13.6758","0.0007","29.22","0.003","90","","90","","90","","5464.9","0.7","200","2","200","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Bis(2,3,5,6-tetra-2-pyridylpyrazine)manganese(II) bis(triiodide)","","- C48 H32 I6 Mn N12 -","- C48 H32 I6 Mn N12 -","- C192 H128 I24 Mn4 N48 -","4","0.25","","Kwang Ha","Crystal structure of bis(2,3,5,6-tetra-2-pyridylpyrazine)manganese(II) bis(triiodide), [Mn(C24H16N6)2](I3)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","509","","","","","0.71073","MoKα","","0.1041","0.067","","","0.1718","0.1981","","","","","","1.056","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103559","5.738","","5.738","","10.765","","90","","90","","90","","354.434","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cd Ge P2 -","- Cd Ge P2 -","- Cd4 Ge4 P8 -","4","0.25","","Hoenle, W.; von Schnering, H.G.","Verfeinerung der Kristallstruktur von Cd Ge P2","Zeitschrift fuer Kristallographie (149,1979-)","1981","155","","319","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103624","5.885","","5.885","","52.62","","90","","90","","90","","1822.4","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Mo6.24 Rh4.76) Ge18","","- Ge18 Mo6.24 Rh4.76 -","- Ge18 Mo6.24 Rh4.76 -","- Ge72 Mo24.96 Rh19.04 -","4","0.25","","Rohrer, F.E.; Eriksson, L.; Lind, H.; Larsson, A.K.; Lidin, S.","On the question of commensurability - the Nowotny chimney-ladder structures revisited","Zeitschrift fuer Kristallographie (149,1979-)","2000","215","","650","660","","","","","","","","","","","","","","","","","","","","","","has coordinates","147568","2020-10-21","18:00:00",""
"8103625","5.922","","5.922","","62.88","","90","","90","","90","","2205.21","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Mo11.75 Rh1.25) Ge22","","- Ge22 Mo11.75 Rh1.25 -","- Ge22 Mo11.752 Rh1.248 -","- Ge88 Mo47.008 Rh4.992 -","4","0.25","","Rohrer, F.E.; Larsson, A.K.; Eriksson, L.; Lind, H.; Lidin, S.","On the question of commensurability - the Nowotny chimney-ladder structures revisited","Zeitschrift fuer Kristallographie (149,1979-)","2000","215","","650","660","","","","","","","","","","","","","","","","","","","","","","has coordinates","147570","2020-10-21","18:00:00",""
"8103649","11.636","","11.636","","6.252","","90","","90","","90","","846.499","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Be (O H2)4 (N O3)2","","- Be H8 N2 O10 -","- Be H8 N2 O10 -","- Be4 H32 N8 O40 -","4","0.25","","Divjakovic, V.; Edenharter, A.; Nowacki, W.; Ribar, B.","Die Kristallstruktur von Tetraaquo-Berylliumnitrat Be (O H2)4 (N O3)2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","314","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103814","8.14","","8.14","","3.971","","90","","90","","90","","263.117","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- D2 O -","- D2 O -","- D24 O12 -","12","0.75","","Klotz, S.; Hamel, G.; Guthrie, M.; Loveday, J.S.; Nelmes, R.J.","Recrystallisation of HDA ice under pressure by in-situ neutron diffraction to 3.9 GPa","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","117","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103974","10.1926","","10.1926","","12.2177","","90","","90","","90","","1269.29","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Na2 Se4 -","- Na2 Se4 -","- Na16 Se32 -","8","0.5","","Boettcher, P.; Roensch, E.; Getzschmann, J.","Crystal structure of dinatriumtetraselenide, Na2 Se4","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","87","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104330","13.074","","13.074","","6.62","","90","","90","","90","","1131.55","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Na2 (Al1.92 Si2.08) Si O10.04 (H2 O)1.96","","- Al1.92 H3.92 Na2 O12 Si3.08 -","- Al1.92 Na2 O12 Si3.08 -","- Al7.68 Na8 O48 Si12.32 -","4","0.25","","Pechar, F.","An X-ray determination of the crystal structure of natural tetragonal natrolite","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9002231","13.267","","13.267","","6.6023","","90","","90","","90","","1162.09","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","Gonnardite","- Al2.15 Ca0.46 Na1.16 O13.4 Si2.85 -","- Al2.15 Ca0.46 Na1.16 O13.4 Si2.85 -","- Al8.6 Ca1.84 Na4.64 O53.6 Si11.4 -","4","0.25","","Artioli, G.; Galli, E.","Gonnardite: Re-examination of holotype material, and discreditation of tetranatrolite","American Mineralogist","1999","84","","1445","1450","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9002385","6.8153","","6.8153","","18.669","","90","","90","","90","","867.144","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","TAPP tetragonal","","","- Fe3.21 Ge2.56 Mg2.08 O12 -","- Fe3.21 Ge2.56 Mg2.08 O12 -","- Fe12.84 Ge10.24 Mg8.32 O48 -","4","0.25","","Levy, D.; Barbier, J.","(Mg,Fe).85(Mg,Fe)4(Fe,Ge)3O12: A new tetragonal phase with its comparison with garnet","American Mineralogist","2000","85","","1053","1060","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9002386","6.8217","","6.8217","","18.7818","","90","","90","","90","","874.022","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","TAPP tetragonal","","","- Ca0.33 Fe3.14 Ge2.52 Mg1.93 O12 -","- Ca0.33 Fe3.14 Ge2.52 Mg1.93 O12 -","- Ca1.32 Fe12.56 Ge10.08 Mg7.72 O48 -","4","0.25","","Levy, D.; Barbier, J.","(Mg,Fe).85(Mg,Fe)4(Fe,Ge)3O12: A new tetragonal phase with its comparison with garnet","American Mineralogist","2000","85","","1053","1060","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9002387","6.829","","6.829","","18.994","","90","","90","","90","","885.79","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","TAPP tetragonal","","","- Fe3.37 Ge2.076 Mg1.766 O12 Y0.684 -","- Fe3.37 Ge2.076 Mg1.766 O12 Y0.684 -","- Fe13.48 Ge8.304 Mg7.064 O48 Y2.736 -","4","0.25","","Levy, D.; Barbier, J.","(Mg,Fe).85(Mg,Fe)4(Fe,Ge)3O12: A new tetragonal phase with its comparison with garnet","American Mineralogist","2000","85","","1053","1060","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9002507","6.5269","","6.5269","","18.1835","","90","","90","","90","","774.625","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","TAPP","","Jeffbenite","- Al1.942 Fe0.49 Mg2.658 O12 Si2.91 -","- Al1.942 Fe0.49 Mg2.658 O12 Si2.91 -","- Al7.768 Fe1.96 Mg10.632 O48 Si11.64 -","4","0.25","","Finger, L. W.; Conrad, P. G.","The crystal structure of ""Tetragonal Almandine-Pyrope Phase"" (TAPP): A reexamination","American Mineralogist","2000","85","","1804","1807","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9002508","13.197","","13.197","","6.63","","90","","90","","90","","1154.69","","","","","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","Gonnardite","- Al2.15 Ca0.3 H8 Na1.7 O12.72 Si2.85 -","- Al2.15 Ca0.3 H5.44 Na1.7 O12.72 Si2.85 -","- Al8.6 Ca1.2 H21.76 Na6.8 O50.88 Si11.4 -","4","0.25","","Evans, H. T.; Konnert, J. A.; Ross, M.","The crystal structure of tetranatrolite from Mont Saint-Hilaire, Quebec, and its chemical and structural relationship to paranatrolite and gonnardite","American Mineralogist","2000","85","","1808","1815","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9002654","20.1847","","20.1847","","5.6203","","90","","90","","90","","2289.83","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Al17.499 Ca4 Fe1.501 O32 -","- Al17.499 Ca4 Fe1.501 O32 -","- Al69.996 Ca16 Fe6.004 O128 -","4","0.25","","Kahlenberg, V.; Shaw, C. S. J.; Parise, J. B.","Crystal structure analysis of synthetic Ca4Fe1.5Al17.67O32: A high pressure, spinel-related phase","American Mineralogist","2001","86","","1477","1482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9003629","13.1988","","13.1988","","6.6288","","90","","90","","90","","1154.79","","","","","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","Tetranatrolite","- Al2.315 Ca0.474 H8 Na1.462 O12.74 Si2.685 -","- Al2.315 Ca0.474 H5.48 Na1.462 O12.74 Si2.685 -","- Al9.26 Ca1.896 H21.92 Na5.848 O50.96 Si10.74 -","4","0.25","","Lee Y; Hriljac J A; Vogt T","Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: at ambient conditions","American Mineralogist","2005","90","","247","251","10.2138/am.2005.1696","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003630","13.0666","","13.0666","","6.6632","","90","","90","","90","","1137.65","","","","373.15","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","Tetranatrolite","- Al2.315 Ca0.474 H8 Na1.462 O12.37 Si2.685 -","- Al2.315 Ca0.474 H4.74 Na1.462 O12.37 Si2.685 -","- Al9.26 Ca1.896 H18.96 Na5.848 O49.48 Si10.74 -","4","0.25","","Lee Y; Hriljac J A; Vogt T","Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 100 C","American Mineralogist","2005","90","","247","251","10.2138/am.2005.1696","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003631","12.9815","","12.9815","","6.6808","","90","","90","","90","","1125.84","","","","473.15","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","Tetranatrolite","- Al2.315 Ca0.474 H8 Na1.462 O12.102 Si2.685 -","- Al2.315 Ca0.474 H4.204 Na1.462 O12.102 Si2.685 -","- Al9.26 Ca1.896 H16.816 Na5.848 O48.408 Si10.74 -","4","0.25","","Lee Y; Hriljac J A; Vogt T","Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 200 C","American Mineralogist","2005","90","","247","251","10.2138/am.2005.1696","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003632","12.9202","","12.9202","","6.695","","90","","90","","90","","1117.61","","","","573.15","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","Tetranatrolite","- Al2.315 Ca0.474 H0.204 Na1.462 O12 Si2.685 -","- Al2.315 Ca0.474 H4 Na1.462 O12 Si2.685 -","- Al9.26 Ca1.896 H16 Na5.848 O48 Si10.74 -","4","0.25","","Lee Y; Hriljac J A; Vogt T","Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 300 C, phase I","American Mineralogist","2005","90","","247","251","10.2138/am.2005.1696","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003633","13.1503","","13.1503","","6.2469","","90","","90","","90","","1080.28","","","","573.15","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","Tetranatrolite","- Al2.315 Ca0.474 H0.204 Na1.462 O10.402 Si2.685 -","- Al2.315 Ca0.474 H0.804 Na1.462 O10.402 Si2.685 -","- Al9.26 Ca1.896 H3.216 Na5.848 O41.608 Si10.74 -","4","0.25","","Lee Y; Hriljac J A; Vogt T","Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 300 C, phase II","American Mineralogist","2005","90","","247","251","10.2138/am.2005.1696","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003882","13.1988","","13.1988","","6.6288","","90","","90","","90","","1154.79","","","","","","","","0","","","","Mt. Saint-Hilaire, Quebec, Canada","6","I -4 2 d","I -4 2bw","122","","","Gonnardite","- Al2.315 Ca0.474 H4.06 Na1.462 O12.74 Si2.685 -","- Al2.315 Ca0.474 H5.48 Na1.462 O12.74 Si2.685 -","- Al9.26 Ca1.896 H21.92 Na5.848 O50.96 Si10.74 -","4","0.25","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 0 GPa","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003887","12.959","","12.959","","6.5446","","90","","90","","90","","1099.07","","","","","","","","4200000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","I -4 2 d","I -4 2bw","122","","","Gonnardite","- Al2.315 Ca0.474 H4 Na1.462 O14 Si2.685 -","- Al2.315 Ca0.474 H8 Na1.462 O14 Si2.685 -","- Al9.26 Ca1.896 H32 Na5.848 O56 Si10.74 -","4","0.25","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 4.2 GPa Note: high-pressure superhydrated phase","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003888","12.91","","12.91","","6.54","","90","","90","","90","","1090.01","","","","","","","","5400000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","I -4 2 d","I -4 2bw","122","","","Gonnardite","- Al2.315 Ca0.474 H4 Na1.462 O14 Si2.685 -","- Al2.315 Ca0.474 H8 Na1.462 O14 Si2.685 -","- Al9.26 Ca1.896 H32 Na5.848 O56 Si10.74 -","4","0.25","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 5.4 GPa on release Note: high-pressure superhydrated phase","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003889","12.761","","12.761","","6.5127","","90","","90","","90","","1060.55","","","","","","","","6900000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","I -4 2 d","I -4 2bw","122","","","Gonnardite","- Al2.315 Ca0.474 H4 Na1.462 O14 Si2.685 -","- Al2.315 Ca0.474 H8 Na1.462 O14 Si2.685 -","- Al9.26 Ca1.896 H32 Na5.848 O56 Si10.74 -","4","0.25","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 6.9 GPa Note: high-pressure superhydrated phase","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9004979","5.4371","","5.4371","","10.8479","","90","","90","","90","","320.686","","","","","","","","","","","","Gies gold-silver telluride deposit, Judith Mountains, Montana, USA","3","I -4 2 d","I -4 2bw","122","","","Lenaite","- Ag Fe S2 -","- Ag Fe S2 -","- Ag4 Fe4 S8 -","4","0.25","","Bindi, L.; Spry, P. G.; Pratesi, G.","Lenaite from the Gies gold-silver telluride deposit, Judith Mountains, Montana, USA: occurrence, composition, and crystal structure Locality: Gies gold-silver telluride deposit, Judith Mountains, Montana, USA","The Canadian Mineralogist","2006","44","","207","212","10.2113/gscanmin.44.1.207","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006285","4.7481","","4.7481","","7.488","","90","","90","","90","","168.813","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.25","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 2","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006972","4.61865","","4.61865","","6.97882","","90","","90","","90","","148.872","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- N O P -","- N O P -","- N4 O4 P4 -","4","0.25","","Leger, J. M.; Haines, J.; Chateau, C.; Bocquillon, G.; Schmidt, M. W.; Hull, S.; Gorelli, F.; Lesauze, A.; Marchand, R.","Phosphorus oxynitride PON, a silica analogue: structure and compression of the cristobalite-like phase; P-T phase diagram Note: cristobalite structure type","Physics and Chemistry of Minerals","2001","28","","388","398","10.1007/s002690100161","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007526","7.0069","","7.0069","","6.4637","","90","","90","","90","","317.346","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","Willemite","- O4 Si Zn2 -","- O4 Si Zn2 -","- O16 Si4 Zn8 -","4","0.25","","Marumo, F.; Syono, Y.","The crystal structure of Zn2SiO4-II, a high-pressure phase of willemite","Acta Crystallographica, Section B","1971","27","","1868","1870","10.1107/S0567740871005004","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007572","5.289","","5.289","","10.423","","90","","90","","90","","291.568","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","Chalcopyrite","- Cu Fe S2 -","- Cu Fe S2 -","- Cu4 Fe4 S8 -","4","0.25","","Hall, S. R.; Stewart, J. M.","The crystal structure refinement of chalcopyrite, CuFeS2","Acta Crystallographica, Section B","1973","29","","579","585","10.1107/S0567740873002943","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007580","7.4997","","7.4997","","7.5494","","90","","90","","90","","424.62","","","","","","","","","","","","Synthetic","4","I -4 2 d","I -4 2bw","122","","","Biphosphammite","- H6 N O4 P -","- H6 N O4 P -","- H24 N4 O16 P4 -","4","0.25","","Khan, A. A.; Baur, W. H.","Refinement of the crystal structures of ammonium dihydrogen phosphate and ammonium dihydrogen arsenate Note: known as ADP","Acta Crystallographica, Section B","1973","29","","2721","2726","10.1107/S0567740873007442","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007581","7.6998","","7.6998","","7.7158","","90","","90","","90","","457.446","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- As H6 N O4 -","- As H6 N O4 -","- As4 H24 N4 O16 -","4","0.25","","Khan, A. A.; Baur, W. H.","Refinement of the crystal structures of ammonium dihydrogen phosphate and ammonium dihydrogen arsenate Note: known as ADA","Acta Crystallographica, Section B","1973","29","","2721","2726","10.1107/S0567740873007442","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009881","4.1961","","4.1961","","6.5112","","90","","90","","90","","114.644","","","","","","","","","","synthesized at 15 kbar and 950 C","synthesized at 15 kbar","","3","I -4 2 d","I -4 2bw","122","","","","- B Li O2 -","- B Li O2 -","- B4 Li4 O8 -","4","0.25","","Marezio, M.; Remeika, J. P.","Polymorphism of LiMO2 compounds and high-pressure single-crystal synthesis of LiBO2 Note: this is the gamma phase, synthesized at 15 kbar and 950 C","Journal of Chemical Physics","1966","44","","3348","3353","10.1063/1.1727236","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:14",""
"9009886","5.34741","","5.34741","","10.47429","","90","","90","","90","","299.51","","","","","","","","","","","","Synthetic sample","3","I -4 2 d","I -4 2bw","122","","","Gallite","- Cu Ga S2 -","- Cu Ga S2 -","- Cu4 Ga4 S8 -","4","0.25","","Abrahams, S. C.; Bernstein, J. L.","Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure: Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites","Journal of Chemical Physics","1973","59","","5415","5420","10.1063/1.1679891","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009887","5.52279","","5.52279","","11.13295","","90","","90","","90","","339.568","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","Roquesite","- Cu In S2 -","- Cu In S2 -","- Cu4 In4 S8 -","4","0.25","","Abrahams, S. C.; Bernstein, J. L.","Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure: Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites Note: Synthetic sample","Journal of Chemical Physics","1973","59","","5415","5420","10.1063/1.1679891","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009928","5.351","","5.351","","10.48","","90","","90","","90","","300.076","","","","","","","","","","","","Synthetic sample","3","I -4 2 d","I -4 2bw","122","","","Gallite","- Cu Ga S2 -","- Cu Ga S2 -","- Cu4 Ga4 S8 -","4","0.25","","Brandt, G.; Rauber, A.; Schneider, J.","ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2 Locality: Synthetic sample Note: Chalcopyrite structure","Solid State Communications","1973","12","","481","483","10.1016/0038-1098(73)90638-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9009929","5.523","","5.523","","11.12","","90","","90","","90","","339.199","","","","","","","","","","","","Synthetic sample","3","I -4 2 d","I -4 2bw","122","","","Roquesite","- Cu In S2 -","- Cu In S2 -","- Cu4 In4 S8 -","4","0.25","","Brandt, G.; Rauber, A.; Schneider, J.","ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2 Locality: Synthetic sample Note: chalcopyrite structure","Solid State Communications","1973","12","","481","483","10.1016/0038-1098(73)90638-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9009930","5.3336","","5.3336","","10.444","","90","","90","","90","","297.103","","","","","","","","","","","","Synthetic sample","3","I -4 2 d","I -4 2bw","122","","","","- Al Cu S2 -","- Al Cu S2 -","- Al4 Cu4 S8 -","4","0.25","","Brandt, G.; Rauber, A.; Schneider, J.","ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2 Locality: Synthetic sample Note: chalcopyrite structure","Solid State Communications","1973","12","","481","483","10.1016/0038-1098(73)90638-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9009931","5.754","","5.754","","10.295","","90","","90","","90","","340.852","","","","","","","","","","","","Synthetic sample","3","I -4 2 d","I -4 2bw","122","","","","- Ag Ga S2 -","- Ag Ga S2 -","- Ag4 Ga4 S8 -","4","0.25","","Brandt, G.; Rauber, A.; Schneider, J.","ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2 Locality: Synthetic sample Note: chalcopyrite structure","Solid State Communications","1973","12","","481","483","10.1016/0038-1098(73)90638-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9009959","7.373","","7.373","","17.513","","90","","90","","90","","952.026","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- Al0.77 Ge1.23 H4 K0.77 O4.5 -","- Al0.77 Ge1.23 H K0.77 O4.5 -","- Al6.16 Ge9.84 H8 K6.16 O36 -","8","0.5","","Tripathi, A.; Parise, J. B.","Hydrothermal synthesis and structural characterization of the aluminogermanate analogues of JBW, montesommaite, analcime and paracelsian Sample: K-AlGe-MON","Microporous and Mesoporous Materials","2002","52","","65","78","10.1016/S1387-1811(02)00270-6","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009999","7.4264","","7.4264","","6.931","","90","","90","","90","","382.254","","","","127","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","Archerite","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Nelmes, R. J.; Meyer, G. M.; Tibballs, J. E.","The crystal structure of tetragonal KH2PO4 and KD2PO4 as a function of temperature Sample: T = 127 K","Journal of Physics C: Solid State Physics","1982","15","","59","75","10.1088/0022-3719/15/1/005","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9010000","7.4521","","7.4521","","6.974","","90","","90","","90","","387.293","","","","295","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","Archerite","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Nelmes, R. J.; Meyer, G. M.; Tibballs, J. E.","The crystal structure of tetragonal KH2PO4 and KD2PO4 as a function of temperature Sample: T = 295 K","Journal of Physics C: Solid State Physics","1982","15","","59","75","10.1088/0022-3719/15/1/005","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010001","7.459","","7.459","","6.957","","90","","90","","90","","387.064","","","","227","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- D2 K O4 P -","- D2 K O4 P -","- D8 K4 O16 P4 -","4","0.25","","Nelmes, R. J.; Meyer, G. M.; Tibballs, J. E.","The crystal structure of tetragonal KH2PO4 and KD2PO4 as a function of temperature Sample: T = 227 K","Journal of Physics C: Solid State Physics","1982","15","","59","75","10.1088/0022-3719/15/1/005","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010002","7.4794","","7.4794","","6.995","","90","","90","","90","","391.31","","","","263","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- D2 K O4 P -","- D2 K O4 P -","- D8 K4 O16 P4 -","4","0.25","","Nelmes, R. J.; Meyer, G. M.; Tibballs, J. E.","The crystal structure of tetragonal KH2PO4 and KD2PO4 as a function of temperature Sample: T = 263 K","Journal of Physics C: Solid State Physics","1982","15","","59","75","10.1088/0022-3719/15/1/005","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9013880","9.38","","9.38","","22.44","","90","","90","","90","","1974.37","","","","","","","","","","","","modelled structure, not experimental","2","I -4 2 d","I -4 2bw","122","","","Godlevskite","- Ni4.5 S4 -","- Ni4.5 S4 -","- Ni72 S64 -","16","1","","Merlino, S.; Makovicky, E.","OD (order-disorder) character of the crystal structure of godlevskite Ni9S8","European Journal of Mineralogy","2009","21","","863","869","10.1127/0935-1221/2009/0021-1961","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013890","11.484","","11.484","","5.62","","90","","90","","90","","741.178","","","","","","","","","","","","Synthetic","3","I -4 2 d","I -4 2bw","122","","","Santarosaite","- B2 Cu O4 -","- B2 Cu O4 -","- B24 Cu12 O48 -","12","0.75","","Martinez-Ripoll M; Martinez-Carrera S; Garcia-Blanco S","The crystal structure of copper metaborate, CuB2O4","Acta Crystallographica, Section B","1971","27","","677","681","10.1107/S0567740871002760","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9015031","6.947","","6.947","","6.133","","90","","90","","90","","295.984","","","","","","","","","","","","Stetind quarry, Tysfjord, Norway","8","I -4 2 d","I -4 2bw","122","","","Atelisite-(Y)","- Dy0.03 Er0.05 Gd0.02 H2 O4 Si0.73 Y0.78 Yb0.12 -","- Dy0.03 Er0.05 Gd0.02 H2 O4 Si0.73 Y0.78 Yb0.12 -","- Dy0.12 Er0.2 Gd0.08 H8 O16 Si2.92 Y3.12 Yb0.48 -","4","0.25","","Malcherek, T.; Mihailova, B.; Schluter, J.; Husdal, T.","Atelisite-(Y), a new rare earth defect silicate of the KDP structure type","European Journal of Mineralogy","2012","24","","1053","1060","10.1127/0935-1221/2012/0024-2242","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015234","5.29","","5.29","","10.4217","","90","","90","","90","","291.642","","","","","","","","","","","","Palabora mine, South Africa","3","I -4 2 d","I -4 2bw","122","","","Chalcopyrite","- Cu Fe S2 -","- Cu Fe S2 -","- Cu4 Fe4 S8 -","4","0.25","","Knight, K. S.; Marshall, W. G.; Zochowski, S. W.","The low-temperature and high-pressure thermoelastic and structural properties of chalcopyrite, CuFeS2 T = 300 K","The Canadian Mineralogist","2011","49","","1015","1034","10.3749/canmin.49.4.1015","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015379","7.4398","","7.4398","","7.0454","","90","","90","","90","","389.967","","","","","","","","","","","","Synthetic","5","I -4 2 d","I -4 2bw","122","","","Archerite","- H0.88 K0.78 N0.22 O4 P -","- H0.88 K0.78 N0.22 O4 P -","- H3.52 K3.12 N0.88 O16 P4 -","4","0.25","","Ono, Y.; Yamada, N.; Hikita, T.","Structure refinements of the mixed crystal K0.78(NH4)0.22H2PO4 in the temperature range from 20 K to 250K Note: T = 20 K","Journal of the Physical Society of Japan","1991","60","","2673","2677","10.1143/JPSJ.60.2673","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015636","5.28563","","5.28563","","10.41917","","90","","90","","90","","291.09","","","","","","","","","","","","Palabora mine, South Africa","3","I -4 2 d","I -4 2bw","122","","","Chalcopyrite","- Cu Fe S2 -","- Cu Fe S2 -","- Cu4 Fe4 S8 -","4","0.25","","Knight, K. S.; Marshall, W. G.; Zochowski, S. W.","The low-temperature and high-pressure thermoelastic and structural properties of chalcopyrite, CuFeS2 T = 4.2 K","The Canadian Mineralogist","2011","49","","1015","1034","10.3749/canmin.49.4.1015","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""