# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T14:25:17+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -3 1 c' 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
"1000229","6.182","0.002","6.182","0.002","12.957","0.002","90","","90","","120","","428.8","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Silver indium phosphorus sulfide (.5/.5/1/3)","","- Ag0.5 In0.5 P S3 -","- Ag0.5 In0.5 P S3 -","- Ag2 In2 P4 S12 -","4","0.333333","","Ouili, Z; Leblanc, A; Colombet, P","Crystal structure of a new Lamellar compound Ag~.5~ In~.5~ P S~3~","Journal of Solid State Chemistry","1987","66","","86","94","10.1016/0022-4596(87)90223-4","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001334","8.2642","0.0005","8.2642","0.0005","17.559","0.002","90","","90","","120","","1038.6","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Caesium molybdosilicophosphate *","","- Cs Mo3 O25 P5.8 Si2 -","- Cs Mo3 O25 P5.802 Si2 -","- Cs2 Mo6 O50 P11.604 Si4 -","2","0.166667","","Leclaire, A; Monier, J C; Raveau, B","Structure of Cs Mo~3~ P~5.8~ Si~2~ O~25~","Acta Crystallographica C (39,1983-)","1985","41","","1719","1720","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001368","7.994","0.001","7.994","0.001","16.513","0.002","90","","90","","120","","913.9","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Germanium phosphatosilicate *","","- Ge3 O25 P6 Si2 -","- Ge3 O25 P6 Si2 -","- Ge6 O50 P12 Si4 -","2","0.166667","","Leclaire, A; Raveau, B","Ge~3~ P~6~ Si~2~ O~25~: A Cage Structure Closely Related to the Intersecting Tunnel Structure K Mo~3~ P~6~ Si~2~ O~25~","Journal of Solid State Chemistry","1988","75","","397","402","10.1016/0022-4596(88)90180-6","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001852","8.2905","0.001","8.2905","0.001","17.439","0.0023","90","","90","","120","","1038","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Rubidium molybdophosphatosilicate *","","- Mo3 O25 P5.8 Rb Si2 -","- Mo3 O25 P5.82 Rb Si2 -","- Mo6 O50 P11.64 Rb2 Si4 -","2","0.166667","","Leclaire, A; Monier, J C; Raveau, B","A molybdosilicophosphate with an intersecting - tunnel structure, which exhibits ion - exchange properties, a Mo3 P5.8 Si2 O25 (A = Rb, Tl)","Acta Crystallographica B (39,1983-)","1984","40","","180","185","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001853","8.2832","0.0005","8.2832","0.0005","17.4343","0.001","90","","90","","120","","1035.9","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Thallium molybdosilicophosphate *","","- Mo3 O25 P5.8 Si2 Tl -","- Mo3 O25 P5.82 Si2 Tl -","- Mo6 O50 P11.64 Si4 Tl2 -","2","0.166667","","Leclaire, A; Monier, J R; Raveau, B","A molybdosilicophosphate with an intersecting - tunnel structure, which exhibits ion - exchange properties, a Mo3 P5.8 Si2 O25 (A = Rb, Tl)","Acta Crystallographica B (39,1983-)","1984","40","","180","185","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001857","8.2648","0.0009","8.2648","0.0009","17.03799","0.001","90","","90","","120","","1007.9","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Potassium titanium disilicohexaphosphate (1/3/1)","","- K O25 P6 Si2 Ti3 -","- K O25 P6 Si2 Ti3 -","- K2 O50 P12 Si4 Ti6 -","2","0.166667","","Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25","Acta Crystallographica C (39,1983-)","1991","47","","936","938","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001858","8.2145","0.0006","8.2145","0.0006","17.24899","0.001","90","","90","","120","","1008","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Caesium titanium disilicohexaphosphate (1/3/1)","","- Cs O25 P6 Si2 Ti3 -","- Cs O25 P6 Si2 Ti3 -","- Cs2 O50 P12 Si4 Ti6 -","2","0.166667","","Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25","Acta Crystallographica C (39,1983-)","1991","47","","936","938","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004009","6.4024","0.0001","6.4024","0.0001","13.358","0.0004","90","","90","","120","","474.2","","","","","","","","","","","","","4","P -3 1 c","","163","","Copper(I) Indium Hexaselenodiphosphate(IV)","","- Cu In P2 Se6 -","- Cu In P2 Se6 -","- Cu2 In2 P4 Se12 -","2","0.166667","","Bourdon, X.; Maisonneuve, V.; Cajipe, V. B.; Payen, C.; Fischer, J. E.","Copper sublattice ordering in layered Cu M P~2~ Se~6~ (M = In, Cr)","Journal of Alloys and Compounds","1999","283","1-2","122","127","10.1016/S0925-8388(98)00899-8","","","","","","0.118","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1010155","5.227","","5.227","","9.98","","90","","90","","120","","236.1","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Sodium dihydroxotetrafluoroantimonate","","- F4 H2 Na O2 Sb -","- F4.0002 H0.3333 Na O1.9998 Sb -","- F8.0004 H0.6666 Na2 O3.9996 Sb2 -","2","0.166667","","Schrewelius, N","Roentgenuntersuchung der Verbindungen Na Sb (O H)~6~, Na Sb F~6~, Na Sb O~3~ und gleichartiger Stoffe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","238","","241","254","10.1002/zaac.19382380209","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100047","4.8113","0.0001","4.8113","0.0001","15.2781","0.0003","90","","90","","120","","306.29","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Sodium Aluminium Boron Oxide (2/2/2/7)","","- Al2 B2 Na2 O7 -","- Al2 B2 Na2 O7 -","- Al4 B4 Na4 O14 -","2","0.166667","","He, M; Chen, X; Zhou, T; Hu, B; Xu, Y; Xu, T","Crystal structureand infrared spectra of Li~2~Al~2~B~2~O~7~","Journal of Alloys and Compounds","2001","327","","210","214","10.1016/S0925-8388(01)01561-4","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101080","8.272","0.004","8.271986","","17.581","0.002","90","","90","","120","","1041.82","","","","","","","","","","","","","5","P -3 1 c","","","Caesium Molybdosilicophosphate","","","- Cs Mo3 O25 P5.8 Si2 -","- Cs Mo3 O25 P5.802 Si2 -","- Cs2 Mo6 O50 P11.604 Si4 -","2","0.166667","","","Caesium Molybdosilicophosphate","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508075","13.789","0.007","13.789","0.007","17.998","0.012","90","","90","","120","","2964","3","298","2","298","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C39 H43 Cu6 F9 N24 O11 S3 -","- C39 H43 Cu6 F9 N24 O11 S3 -","- C78 H86 Cu12 F18 N48 O22 S6 -","2","0.166667","","Mathivathanan, Logesh; Rivera-Carrillo, Marlyn; Raptis, Raphael G","Three new multinuclear motifs in Cu(II)-pyrazolate chemistry","Inorganica Chimica Acta","2012","391","","201","205","10.1016/j.ica.2012.05.027","","","0.71073","MoKα","","0.1489","0.0603","","","0.0898","0.1097","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508414","6.8712","0.0009","6.8712","0.0009","12.2531","0.0017","90","","90","","120","","501","0.12","293","2","293","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","Tri-natrium-molybdo(III)hexa-chlorid","","","- Cl6 Mo Na3 -","- Cl6 Mo Na3 -","- Cl12 Mo2 Na6 -","2","0.166667","","Beran, Martin; Meyer, Gerd","Crystal Structure of Na3MoCl6","Crystals","2012","1","3","99","103","10.3390/cryst1030099","","","0.71073","MoKα","","0.035","0.0238","","","0.0671","0.0706","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509104","5.9288","","5.9288","","12.744","","90","","90","","120","","387.945","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Silver titanium sulfide (.35/1/2)","","- Ag0.35 S2 Ti -","- Ag0.344 S2 Ti -","- Ag2.064 S12 Ti6 -","6","0.5","","Zondag, J.E.; Wiegers, G.A.; van Smaalen, S.; Haange, R.J.; Bronsema, K.D.; de Boer, J.L.","X-ray study of the second-order phase transition of Ag0.35 Ti S2: A phase transition characterized by two order parameters","Journal of Solid State Chemistry","1987","67","","9","20","10.1016/0022-4596(87)90332-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509347","6.375","","6.375","","13.32","","90","","90","","120","","468.808","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Ag Ga (P2 Se6)","","- Ag Ga P2 Se6 -","- Ag Ga P2 Se6 -","- Ag2 Ga2 P4 Se12 -","2","0.166667","","Kniep, R.; Pfeiff, R.","Quaternary selenodiphosphates(IV):M(I)M(III)(P2Se6), (M(I)=Cu,Ag;M(III)=Cr,Al,Ga,In)","Journal of Alloys Compd.","1992","186","","111","133","10.1016/0925-8388(92)90626-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509399","6.483","","6.483","","13.33","","90","","90","","120","","485.191","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Ag In (P2 Se6)","","- Ag In P2 Se6 -","- Ag In P2 Se6 -","- Ag2 In2 P4 Se12 -","2","0.166667","","Kniep, R.; Pfeiff, R.","Quaternary selenodiphosphates(IV):M(I)M(III)(P2Se6), (M(I)=Cu,Ag;M(III)=Cr,Al,Ga,In)","Journal of Alloys Compd.","1992","186","","111","133","10.1016/0925-8388(92)90626-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514395","16.49","0.001","16.49","0.001","14.05","0.001","90","","90","","120","","3308.6","0.4","100","2","100","2","","","","","","","synthesis as described","5","P -3 1 c","-P 3 2c","163","","","","- C51 H33 N7 O20 Zn3 -","- C51.04 H24 N6.99 O19.98 Zn3 -","- C102.08 H48 N13.98 O39.96 Zn6 -","2","0.166667","","Park, Hye Jeong; Suh, Myunghyun Paik","Enhanced isosteric heat, selectivity, and uptake capacity of CO2 adsorption in a metal-organic framework by impregnated metal ions","Chemical Science","2013","4","2","685","","10.1039/c2sc21253f","","x-ray","0.8","synchrotron","","0.1193","0.1131","","","0.3384","0.3453","","","","","","1.58","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516509","7.1852","0.001","7.1852","0.001","12.238","0.004","90","","90","","120","","547.2","0.2","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","potassium lanthanum(III) hexacyanidoferrate(II)","potassium lanthanum(III) hexacyanidoferrate(II)","","- C6 Fe K La N6 -","- C6 Fe K La N6 -","- C12 Fe2 K2 La2 N12 -","2","0.166667","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.1053","0.1006","","","0.2426","0.2446","","","","","","1.434","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516857","11.472","0.003","11.472","0.003","15.217","0.004","90","","90","","120","","1734.4","0.8","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C30 H24 Cl2 N12 Zn -","- C30 H24 Cl1.98 N12 Zn -","- C60 H48 Cl3.96 N24 Zn2 -","2","0.166667","","Feng Guo","Hydrothermal syntheses, crystal structure and luminescent properties of four zinc(II) coordination polymers based on tipodal imidazole","Inorganica Chimica Acta","2013","399","","79","84","","","","0.71069","MoKα","","0.0684","0.0581","","","0.1511","0.1552","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520988","9.2673","","9.2673","","17.249","","90","","90","","120","","1282.92","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Cs Pb ((Ta Cl)6 Cl12)","","- Cl18 Cs Pb Ta6 -","- Cl18 Cs Pb Ta6 -","- Cl36 Cs2 Pb2 Ta12 -","2","0.166667","","Cordier, S.; Loisel, C.; Sergent, M.; Perrin, C.","Tantalum chlorides in octahedral cluster chemistry: the structures of Cs2 Pb Ta6 Cl18 and Cs Pb Ta6 Cl18","Journal of Solid State Chemistry","1999","147","","350","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522183","13.7571","","13.7571","","19.93619","","90","","90","","120","","3267.58","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Al24 (P O4)24","","- Al24 O96 P24 -","- Al24 O96 P24 -","- Al24 O96 P24 -","1","0.0833333","","Wilson, S.T.; Broach, R.W.; Bateman, C.A.; Blackwell, C.S.; McGuire, N.K.; Kirchner, R.M.","Synthesis, characterization and structure of SAPO-56, a member of the ABC double-six-ring family of materials with stacking sequence AABBCCBB","Microporous and Mesoporous Materials","1999","28","","125","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","142403","2020-10-21","18:00:00",""
"1522213","5.3416","","5.3416","","10.6991","","90","","90","","120","","264.375","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Na1.84 (Sn Te O6)","","- Na1.84 O6 Sn Te -","- Na1.84 O6 Sn Te -","- Na3.68 O12 Sn2 Te2 -","2","0.166667","","Woodward, P.M.; Sleight, A.W.; Du, L.-S.; Grey, C.P.","Structural studies and order-disorder phenomenon in a series of new quaternary tellurates of the type A(2+) M(4+) Te(6+) O6 and A(1+)2 M(4+) Te(6+) O6","Journal of Solid State Chemistry","1999","147","","99","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522215","5.0958","","5.0958","","10.6325","","90","","90","","120","","239.106","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Na2 (Ge Te O6)","","- Ge Na2 O6 Te -","- Ge Na2 O6 Te -","- Ge2 Na4 O12 Te2 -","2","0.166667","","Woodward, P.M.; Grey, C.P.; Sleight, A.W.; Du, L.-S.","Structural studies and order-disorder phenomenon in a series of new quaternary tellurates of the type A(2+) M(4+) Te(6+) O6 and A(1+)2 M(4+) Te(6+) O6","Journal of Solid State Chemistry","1999","147","","99","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523249","5.645","","5.645","","13.851","","90","","90","","120","","382.243","","","","","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","","","- Pt3 Tl2 -","- Pt3 Tl2 -","- Pt12 Tl8 -","4","0.333333","","Bhan, S.; Goedecke, T.; Panday, P.K.; Schubert, K.","Ueber die Mischungen Pd-Tl und Pt-Tl","Journal of the Less-Common Metals","1968","16","","415","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526941","8.638","","8.638","","13.993","","90","","90","","120","","904.207","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Na4 Mg (S C N)6","","- C6 Mg N6 Na4 S6 -","- C6 Mg N6 Na4 S6 -","- C12 Mg2 N12 Na8 S12 -","2","0.166667","","Wickleder, C.; Larsen, P.","Ba Cl S C N und Na4 Mg (S C N)6: zwei neue wasserfreie Thiocyanate der Erdalkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1279","1282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527084","6.814","","6.814","","12.073","","90","","90","","120","","485.456","","","","","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","","","- Cr2 Te3 -","- Cr2 Te3 -","- Cr8 Te12 -","4","0.333333","","Andresen, A.F.","The magnetic structure of Cr2 Te3, Cr3 Te4, and Cr5 Te6","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3495","3509","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527711","4.313","","4.313","","16.516","","90","","90","","120","","266.069","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Ce1.2 Ga9.8 Pt4 -","- Ce1.2 Ga9.8 Pt4 -","- Ce1.2 Ga9.8 Pt4 -","1","0.0833333","","Lacerda, A.; Canfield, P.C.; Goldstone, J.; Hundley, M.F.; Beyermann, W.P.; Sparn, G.; Barnhart, D.; Thompson, J.P.; Fisk, Z.; Burns, C.; Lawson, A.C.; Kwei, G.H.","Possible heavy-fermion behavior and field-induced transitions in new R-Pt-Ga compounds","Journal of Alloys Compd.","1992","181","","191","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528136","13.657","","13.657","","23.435","","90","","90","","120","","3785.35","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Ga22.13 Li11.33 Zn2.66 -","- Ga22.1347 Li11.3333 Zn2.652 -","- Ga132.808 Li68 Zn15.912 -","6","0.5","","Tillard-Charbonnel, M.; Chahin, A.; Belin, C.","A new intermetallic phase in the ternary system: Li-Zn-Ga, a hexagonal-type arrangement of extended icosahedral units","Materials Research Bulletin","1993","28","","1285","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528761","16.364","","16.364","","8.536","","90","","90","","120","","1979.54","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Yb (N (Si (C H3)3)2)3","","- C18 H54 N3 Si6 Yb -","- C18 H54 N3 Si6 Yb -","- C36 H108 N6 Si12 Yb2 -","2","0.166667","","Niemeyer, M.","Synthesis and structural characterization of several ytterbium bis(trimethylsilyl)amides including base-free [Yb {N (Si Me3)2}2 (mue-Cl)]2 - a coordinatively unsaturated complex with additional agostic Yb...(H3 C-Si) interactions","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","647","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529954","5.15","","5.15","","9.56","","90","","90","","120","","219.585","","","","","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","Ti3 O","","- O Ti3 -","- O Ti3 -","- O4 Ti12 -","4","0.333333","","Fykin, L.E.; Vavilova, V.V.; Kornilov, I.I.; Solov'ev, S.P.; Ozerov, R.P.","Neutrondiffraction investigation of phases in system titanium oxygen","Doklady Akademii Nauk SSSR","1970","191","","96","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529955","5.13","","5.13","","9.48","","90","","90","","120","","216.06","","","","","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","Ti6 O","","- O Ti6 -","- O Ti6 -","- O2 Ti12 -","2","0.166667","","Fykin, L.E.; Solov'ev, S.P.; Kornilov, I.I.; Ozerov, R.P.; Vavilova, V.V.","Neutrondiffraction investigation of phases in system titanium oxygen","Doklady Akademii Nauk SSSR","1970","191","","96","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533202","6.6941","","6.6941","","10.4157","","90","","90","","120","","404.207","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","La Cu0.98 O2.58","","- Cu0.98 La O2.58 -","- Cu0.98 La O2.578 -","- Cu5.88 La6 O15.468 -","6","0.5","","Garlea, O.; Darie, C.; Isnard, O.; Bordet, P.; Bougerol, C.","Structure of La Cu O2.66: an oxidized delafossite compound containing hole-doped kagome planes of Cu(2+) cations","Solid State Sciences","2003","5","","1095","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533203","6.69461","","6.69461","","10.3997","","90","","90","","120","","403.647","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","(La O2) (Cu0.93 O0.57)","","- Cu0.93 La O2.57 -","- Cu0.93 La O2.57 -","- Cu5.58 La6 O15.42 -","6","0.5","","Garlea, O.; Bougerol, C.; Darie, C.; Isnard, O.; Bordet, P.","Structure of La Cu O2.66: an oxidized delafossite compound containing hole-doped kagome planes of Cu(2+) cations","Solid State Sciences","2003","5","","1095","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533204","6.68821","","6.68821","","10.3811","","90","","90","","120","","402.155","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","(La O2) (Cu0.98 O0.59)","","- Cu0.98 La O2.59 -","- Cu0.98 La O2.59 -","- Cu5.88 La6 O15.54 -","6","0.5","","Garlea, O.; Darie, C.; Bordet, P.; Bougerol, C.; Isnard, O.","Structure of La Cu O2.66: an oxidized delafossite compound containing hole-doped kagome planes of Cu(2+) cations","Solid State Sciences","2003","5","","1095","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534385","5.88","","5.88","","11.32","","90","","90","","120","","338.947","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Ni.33 Ti S2","","- Ni0.33 S2 Ti -","- Ni0.333333 S2 Ti -","- Ni2 S12 Ti6 -","6","0.5","","Danot, M.; Bichon, J.; Rouxel, J.","Le systeme nickel-disulfure de titane","Bulletin de la Societe Chimique de France (Vol=Year)","1972","1972","","3063","3066","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534551","6.058","","6.058","","11.674","","90","","90","","120","","371.03","","","","","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","Mo Cl4","","- Cl4 Mo -","- Cl4 Mo -","- Cl12 Mo3 -","3","0.25","","Schaefer, H.; Baumann, H.; Tillack, J.V.; von Schnering, H.G.; Woehrle, H.; Kuhnen, F.","Neue Untersuchungen ueber die Chloride das Molybdaens","Zeitschrift fuer Anorganische und Allgemeine Chemie","1967","353","","281","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535387","7.251","","7.251","","13.081","","90","","90","","120","","595.617","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Na3 Sc Br6","","- Br6 Na3 Sc -","- Br6 Na3 Sc -","- Br12 Na6 Sc2 -","2","0.166667","","Bohnsack, A.; Meyer, G.","Ternaere Halogenide des Scandiums mit Natrium, Na3 Sc X6 (X= F, Cl, Br): Synthese, Strukturen, Ionenleitfaehigkeit","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","173","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535650","6.143","","6.143","","11.718","","90","","90","","120","","382.953","","","","","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","Ti Cl3","","- Cl3 Ti -","- Cl3 Ti -","- Cl12 Ti4 -","4","0.333333","","Troyanov, S.I.; Snigireva, E.M.; Rybakov, V.B.","X-ray diffraction study of phase transition in alpha-TiCl3","Zhurnal Neorganicheskoi Khimii","1991","36","","1117","1122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535673","6.284","","6.284","","11.788","","90","","90","","120","","403.128","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Fe (Zr Cl6)","","- Cl6 Fe Zr -","- Cl6 Fe Zr -","- Cl12 Fe2 Zr2 -","2","0.166667","","Troyanov, S.I.; Kharisov, B.I.; Berdonosov, S.S.","Crystal structure of Fe Zr Cl6 - a new structural type for ABX6 compounds.","Zhurnal Neorganicheskoi Khimii","1992","37","","2424","2429","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535690","6.274","","6.274","","11.779","","90","","90","","120","","401.539","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Fe (Hf Cl6)","","- Cl6 Fe Hf -","- Cl6 Fe Hf -","- Cl12 Fe2 Hf2 -","2","0.166667","","Troyanov, S.I.; Kharisov, B.I.; Berdonosov, S.S.","X-ray structural study of iron(II) hexachlorohafnate(IV) FeHfCl6","Zhurnal Neorganicheskoi Khimii","1993","38","","476","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536653","10.804","","10.804","","16.258","","90","","90","","120","","1643.49","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Cs2 Mo6 I14","","- Cs2 I14 Mo6 -","- Cs2 I14 Mo6 -","- Cs4 I28 Mo12 -","2","0.166667","","Kirakci, K.; Perrin, C.; Cordier, S.","Synthesis and characterization of Cs2 Mo6 X14 (X = Br or I) hexamolybdenum cluster halides: efficient Mo6 cluster precursors for solution chemistry synthesis","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","411","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","164449","2020-10-21","18:00:00",""
"1536656","10.1925","","10.1925","","15.069","","90","","90","","120","","1355.74","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Cs2 Mo6 Br14","","- Br14 Cs2 Mo6 -","- Br14 Cs2.036 Mo6 -","- Br28 Cs4.072 Mo12 -","2","0.166667","","Kirakci, K.; Cordier, S.; Perrin, C.","Synthesis and characterization of Cs2 Mo6 X14 (X = Br or I) hexamolybdenum cluster halides: efficient Mo6 cluster precursors for solution chemistry synthesis","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","411","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","164453","2020-10-21","18:00:00",""
"1537056","10.18","","10.18","","15.125","","90","","90","","120","","1357.44","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Cs2 (Br8 (W Br)6)","","- Br14 Cs2 W6 -","- Br14 Cs2 W6 -","- Br28 Cs4 W12 -","2","0.166667","","Zheng, Y.-Q.; Peters, K.; Grin', Yu.; von Schnering, H.G.","Syntheses and crystal structures of the cluster compounds A2 ((W6 Br8) Br6) with A =K, Rb, Cs","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","","506","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","165032","2020-10-21","18:00:00",""
"1539773","6.222","","6.222","","8.73","","90","","90","","120","","292.688","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Mo Ni P8 -","- Mo Ni P8 -","- Mo2 Ni2 P16 -","2","0.166667","","Dewalsky, M.V.; Jeitschko, W.","Preparation, physical properties and crystal structure of Mo Ni P8 and W Ni P8","Acta Chemica Scandinavica (43,1989-)","1991","45","","828","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539839","9.208","","9.208","","17.095","","90","","90","","120","","1255.25","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Cs2 U (O3 Cl9 (Nb Cl)6)","","- Cl15 Cs2 Nb6 O3 U -","- Cl15 Cs2 Nb6 O3 U -","- Cl30 Cs4 Nb12 O6 U2 -","2","0.166667","","Cordier, S.; Sergent, M.; Perrin, C.","New series of niobium oxychlorides, M2 RE Nb6 Cl15 O3 (M= monovalent cation, RE= rare earth) and M2 U Nb6 Cl15 O3. The crystal structure of Cs2 U Nb6 Cl15 O3","Materials Research Bulletin","1997","32","","25","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1546836","26.1715","0.0002","26.1715","0.0002","15.3862","0.0001","90","","90","","120","","9126.81","0.12","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C0 H18 B69 Mg7 N0 O126 -","- B69 H18 Mg7 O126 -","- B138 H36 Mg14 O252 -","2","0.166667","","Wang, Jia-Jia; Yang, Guo-Yu","A novel supramolecular magnesoborate framework with snowflake-like channels built by unprecedented huge B <sub>69</sub> cluster cages","Chemical Communications","2017","53","75","10398","10401","10.1039/C7CC05404A","","","1.54178","CuKα","","0.0524","0.0488","","","0.1412","0.1438","","","","","","1.072","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1550737","7.5561","0.0003","7.5561","0.0003","34.3002","0.0016","90","","90","","120","","1695.99","0.12","273","2","273","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Bi3 Cl16 Rb7 -","- Bi3 Cl15.999 Rb6.9998 -","- Bi6 Cl31.998 Rb13.9996 -","2","0.166667","","Xie, Jie-Ling; Huang, Zhao-Qian; Wang, Bin; Chen, Wei-Jun; Lu, Wen-Xiu; Liu, Xin; Song, Jun-Ling","New lead-free perovskite Rb<sub>7</sub>Bi<sub>3</sub>Cl<sub>16</sub> nanocrystals with blue luminescence and excellent moisture-stability.","Nanoscale","2019","11","14","6719","6726","10.1039/c9nr00600a","","","0.71073","MoKα","","0.0469","0.0432","","","0.1053","0.1081","","","","","","1.065","","","","has coordinates,has disorder","224664","2020-10-21","18:00:00",""
"1551166","12.2358","0.0017","12.2358","0.0017","33.86","0.007","90","","90","","120","","4390.2","1.3","293","2","293","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C33 H24 O12 -","- C33 H24 O12 -","- C132 H96 O48 -","4","0.333333","","Zhou, Yue; Kan, Liang; Eubank, Jarrod F.; Li, Guanghua; Zhang, Lirong; Liu, Yunling","Self-assembly of two robust 3D supramolecular organic frameworks from a geometrically non-planar molecule for high gas selectivity performance","Chemical Science","2019","","","","","10.1039/C9SC00290A","","","0.71073","MoKα","","0.0734","0.0609","","","0.1758","0.1863","","","","","","1.076","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1551507","8.9542","0.0016","8.9542","0.0016","10.433","0.0019","90","","90","","120","","724.4","0.2","288","2","288","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H24 N6 O4 Zn -","- C8 H24 N6 O3.9996 Zn -","- C16 H48 N12 O7.9992 Zn2 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0429","0.0425","","","0.1263","0.1269","","","","","","1.217","","","","has coordinates","216110","2020-10-21","18:00:00",""
"1551509","8.866","0.003","8.866","0.003","10.486","0.003","90","","90","","120","","713.8","0.4","263","2","263","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O3.9996 -","- C16 H48 N12 Ni2 O7.9992 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71073","MoKα","","0.0656","0.0652","","","0.1495","0.1506","","","","","","1.365","","","","has coordinates,has disorder","216112","2020-10-21","18:00:00",""
"1551511","8.875","0.003","8.875","0.003","10.488","0.003","90","","90","","120","","715.4","0.4","283","2","283","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O3.9996 -","- C16 H48 N12 Ni2 O7.9992 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0557","0.0555","","","0.1776","0.1779","","","","","","1.654","","","","has coordinates","216114","2020-10-21","18:00:00",""
"1551513","8.882","0.009","8.882","0.009","10.504","0.01","90","","90","","120","","717.6","1.2","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H12 D12 N6 Ni O4 -","- C8 H12 D12 N6 Ni O3.9996 -","- C16 H24 D24 N12 Ni2 O7.9992 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0384","0.031","","","0.0688","0.0733","","","","","","1.017","","","","has coordinates","216116","2020-10-21","18:00:00",""
"1553986","19.878","0.002","19.878","0.002","27.361","0.003","90","","90","","120","","9362.8","1.7","173","2","173","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C150 H132 Au13 Cl5 P12 -","- C150 H132 Au13 Cl5 P12 -","- C300 H264 Au26 Cl10 P24 -","2","0.166667","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","","0.71073","MoKα","","0.084","0.0406","","","0.0815","0.0943","","","","","","0.97","","","","has coordinates","236264","2020-10-21","18:00:00",""
"1559217","8.7795","0.0012","8.7795","0.0012","8.1964","0.0016","90","","90","","120","","547.13","0.15","153","2","153.15","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C I3 Pb -","- C I3 Pb -","- C2 I6 Pb2 -","2","0.166667","","Yang, Ning; Zhu, Cheng; Chen, Yihua; Zai, Huachao; Wang, Chenyue; Wang, Xi; Wang, Hao; Ma, Sai; Gao, Ziyan; Wang, Xueyun; Hong, Jiawang; Bai, Yang; Zhou, Huanping; Cui, Bin-Bin; Chen, Qi","An in situ cross-linked 1D/3D perovskite heterostructure improves the stability of hybrid perovskite solar cells for over 3000 h operation","Energy & Environmental Science","2020","13","11","4344","4352","10.1039/D0EE01736A","","","0.71073","MoKα","","0.0974","0.0954","","","0.2868","0.2902","","","","","","1.251","","","","has coordinates","259603","2020-12-06","14:25:06",""
"1561143","8.2675","0.0003","8.2675","0.0003","14.0576","0.0005","90","","90","","120","","832.13","0.05","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr Mn N O13 -","- C8 H6 Cr Mn N0.9999 O13.0002 -","- C16 H12 Cr2 Mn2 N1.9998 O26.0004 -","2","0.166667","","Mączka, Mirosław; Janczak, Jan; Hermanowicz, Krzysztof; Pikul, Adam; Hanuza, Jerzy","Magnetic, optical and phonon properties of novel heterometallic formates [NH3CH2CH2OH][MIIIMII(HCOO)6] (MIII = Fe, Cr; MII = Mn, Ni, Co)","Journal of Solid State Chemistry","2018","260","","7","15","10.1016/j.jssc.2017.12.017","","","0.71073","MoKα","","0.0273","0.0235","","","0.0451","0.0465","","","","","","1.001","","","","has coordinates","263167","2021-03-19","08:35:36",""
"1561144","8.2876","0.0005","8.2876","0.0005","14.1138","0.0008","90","","90","","120","","839.52","0.09","295","2","295","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr Mn N O13 -","- C8 H6 Cr Mn N0.9999 O13.0002 -","- C16 H12 Cr2 Mn2 N1.9998 O26.0004 -","2","0.166667","","Mączka, Mirosław; Janczak, Jan; Hermanowicz, Krzysztof; Pikul, Adam; Hanuza, Jerzy","Magnetic, optical and phonon properties of novel heterometallic formates [NH3CH2CH2OH][MIIIMII(HCOO)6] (MIII = Fe, Cr; MII = Mn, Ni, Co)","Journal of Solid State Chemistry","2018","260","","7","15","10.1016/j.jssc.2017.12.017","","","0.71073","MoKα","","0.0436","0.0327","","","0.0745","0.0811","","","","","","1.001","","","","has coordinates","263168","2021-03-19","08:37:07",""
"1561145","18.7309","0.0016","18.7309","0.0016","34.235","0.003","90","","90","","120","","10402","1.6","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C28 H17 Cu2 N O10 -","- C28 H17 Cu2 N O10 -","- C168 H102 Cu12 N6 O60 -","6","0.5","","Duan, Xing; Zhou, You; Lv, Ran; Yu, Ben; Chen, Haodong; Ji, Zhenguo; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A new metal-organic framework for separation of C2H2/CH4 and CO2/CH4 at room temperature","Journal of Solid State Chemistry","2018","260","","31","33","10.1016/j.jssc.2018.01.002","","","0.71073","MoKα","","0.0927","0.0479","","","0.1136","0.1192","","","","","","1.032","","","","has coordinates,has disorder","263169","2021-03-19","08:49:28",""
"1561230","8.3389","0.0002","8.3389","0.0002","13.7419","0.0005","90","","90","","120","","827.55","0.04","295","","295","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C9 H16 Fe2 N O12 -","- C8.9998 Fe2 N1.0002 O12 -","- C17.9996 Fe4 N2.0004 O24 -","2","0.166667","","Mączka, Mirosław; Kucharska, Edyta; Gągor, Anna; Pikul, Adam; Hanuza, Jerzy","Synthesis, magnetic and vibrational properties of two novel mixed-valence iron(II)-iron(III) formate frameworks","Journal of Solid State Chemistry","2018","258","","163","169","10.1016/j.jssc.2017.10.016","powder diffraction","x-ray","1.5418","CuKα","","0.1551","0.0672","","0.0621","0.0524","","","","1.21","","","","","","","has coordinates","263291","2021-03-24","08:10:09",""
"1561231","8.2317","0.0002","8.2317","0.0002","14.1998","0.0005","90","","90","","120","","833.28","0.04","295","","295","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O13 -","- C8.0002 H6 Fe2 N1.0002 O13.0002 -","- C16.0004 H12 Fe4 N2.0004 O26.0004 -","2","0.166667","","Mączka, Mirosław; Kucharska, Edyta; Gągor, Anna; Pikul, Adam; Hanuza, Jerzy","Synthesis, magnetic and vibrational properties of two novel mixed-valence iron(II)-iron(III) formate frameworks","Journal of Solid State Chemistry","2018","258","","163","169","10.1016/j.jssc.2017.10.016","powder diffraction","x-ray","1.5418","CuKα","","0.0913","0.0842","","0.0731","0.0726","","","","1.52","","","","","","","has coordinates","263292","2021-03-24","08:11:21",""
"1562609","8.8599","0.0013","8.8599","0.0013","15.148","0.003","90","","90","","120","","1029.8","0.3","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C B15 Ba Li9 O30 -","- C B15 Ba Li9 O30 -","- C2 B30 Ba2 Li18 O60 -","2","0.166667","","Heyward, Carla; McMillen, Colin D.; Kolis, Joseph","Hydrothermal synthesis and structural analysis of new mixed oxyanion borates: Ba11B26O44(PO4)2(OH)6, Li9BaB15O27(CO3) and Ba3Si2B6O16","Journal of Solid State Chemistry","2013","203","","166","173","10.1016/j.jssc.2013.04.022","","","0.71073","MoKα","","0.0212","0.0209","","","0.0551","0.0554","","","","","","1.222","","","","has coordinates","265276","2021-05-17","09:18:18",""
"1563049","6.707","0.0009","6.707","0.0009","12.675","0.003","90","","90","","120","","493.78","0.15","295","2","295","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Cu3 Er S3 -","- Cu3 Er S3 -","- Cu12 Er4 S12 -","4","0.333333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0435","0.0351","","","0.0947","0.0989","","","","","","1.295","","","","has coordinates","265653","2021-06-01","09:44:10",""
"1563726","5.3671","0.0005","5.3671","0.0005","18.75","0.003","90","","90","","120","","467.75","0.1","295","2","295","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Co2 H11 N2 O9 P3 -","- Co2 H11 N2 O9 P3 -","- Co4 H22 N4 O18 P6 -","2","0.166667","","Cheng, Chi-Chang; Chang, Wei-Kuo; Chiang, Ray-Kuang; Wang, Sue-Lein","Synthesis and structural characterization of two cobalt phosphites: 1-D (H3NC6H4NH3)Co(HPO3)2 and 2-D (NH4)2Co2(HPo3)3","Journal of Solid State Chemistry","2010","183","2","304","309","10.1016/j.jssc.2009.10.029","","","0.71073","MoKα","","0.0316","0.0303","","","0.0797","0.0799","","","","","","1.214","","","","has coordinates","266731","2021-06-28","09:17:22",""
"1568465","15.233","0.0002","15.233","0.0002","31.8165","0.0008","90","","90","","120","","6393.7","0.2","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C105 Br19 Mn2 N6 Pb3 -","- C105 Br19 Mn2 N6 Pb3 -","- C210 Br38 Mn4 N12 Pb6 -","2","0.166667","","Zhang, Zhipeng; Liao, Jin-Feng; Xing, Guichuan","Regulating the coordination geometry of polyhedra in zero-dimensional metal halides for tunable emission.","Nanoscale","2023","15","11","5241","5248","10.1039/d2nr06975j","","","1.54178","CuKα","","0.1584","0.1432","","","0.3811","0.3947","","","","","","2.829","","","","has coordinates","282345","2023-04-04","10:21:06",""
"1568466","15.1977","0.0002","15.1977","0.0002","31.6698","0.0005","90","","90","","120","","6334.78","0.15","149.98","0.1","149.98","0.1","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C60 Br19 N6 Pb3 Zn2 -","- C60 Br19 N6 Pb3 Zn2 -","- C120 Br38 N12 Pb6 Zn4 -","2","0.166667","","Zhang, Zhipeng; Liao, Jin-Feng; Xing, Guichuan","Regulating the coordination geometry of polyhedra in zero-dimensional metal halides for tunable emission.","Nanoscale","2023","15","11","5241","5248","10.1039/d2nr06975j","","","1.54178","CuKα","","0.0659","0.0591","","","0.1717","0.1791","","","","","","1.064","","","","has coordinates","282345","2023-04-04","10:21:06",""
"2009901","13.258","0.003","13.258","0.003","14.68","0.007","90","0.03","90","0.03","120","0.02","2234.7","1.4","293","","293","","","","","","","","","6","P -3 1 c","-P 3 2c","163","","Hexakis(difluorphenylphosphan)wolfram(0) hydrat","","- C36 H32 F12 O P6 W -","- C36 H30 F12 O0.999 P6 W -","- C72 H60 F24 O1.998 P12 W2 -","2","0.166667","SE1039","Crump, W.; Kruck, Th.; Siegers, B.; Tebbe, K.-F.","Hexakis(difluorphenylphosphan)wolfram(0) hydrat, W(PF~2~Ph)~6~.H~2~O","Acta Crystallographica Section C","1994","50","7","1074","1076","10.1107/S0108270193012843","","","0.71069","MoKα","","0.046","0.039","","0.059","0.059","","","","4.34","4.52","4.52","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017493","5.0381","0.0006","5.0381","0.0006","15.155","0.0019","90","","90","","120","","333.13","0.07","295","2","295","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","cadmium dizinc potassium borate fluoride","","- B2 Cd F K O6 Zn2 -","- B2 Cd F K O6 Zn2 -","- B4 Cd2 F2 K2 O12 Zn4 -","2","0.166667","SQ3218","Zhang, Fan; Jiao, Zhi-Wei; Shen, De-Zhong; Shen, Guang-Qiu; Wang, Xiao-Qing","CdZn~2~KB~2~O~6~F, a new fluoride borate crystal","Acta Crystallographica Section C","2010","66","1","i1","i3","10.1107/S0108270109050069","","","0.71073","MoKα","","0.04","0.0374","","","0.0816","0.0829","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020261","9.1882","","9.1882","","17.1681","","90","","90","","120","","1255.2","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Cs Lu ((Nb6 Cl12) Cl6)","","- Cl18 Cs Lu Nb6 -","- Cl18 Cs Lu Nb6 -","- Cl36 Cs2 Lu2 Nb12 -","2","0.166667","","Ihmaine, S.; Perrin, C.; Sergent, M.","Structure of a new quaternary niobium chloride with Nb6 clusters: Cs Lu Nb6 Cl18","Acta Crystallographica C (39,1983-)","1989","45","","705","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2022908","9.1318","0.0001","9.1318","0.0001","17.1558","0.0002","90","","90","","120","","1238.95","0.02","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","Dicesium gadolinium hexaniobium pentadecachloride trioxide","","","- Cl15 Cs2 Gd Nb6 O3 -","- Cl15 Cs2 Gd Nb6 O3 -","- Cl30 Cs4 Gd2 Nb12 O6 -","2","0.166667","WM5695","Silaban, Saronom; Haryani, Maefa Eka; Gulo, Fakhili; Perrin, Christiane","Crystal structure of Cs<sub>2</sub>GdNb<sub>6</sub>Cl<sub>15</sub>O<sub>3</sub> in the structural evolution of niobium oxychlorides with octa-hedral Nb<sub>6</sub>-cluster units.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1008","1011","10.1107/S205698902300871X","","","0.71073","MoKα","","0.0347","0.0292","","","0.0652","0.0677","","","","","","1.149","","","","has coordinates,has Fobs","288139","2023-12-07","11:50:10",""
"2102217","10.1367","0.0003","10.1367","0.0003","11.705","0.0003","90","","90","","120","","1041.59","0.05","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","?","- Mo12 O48 Zr6 -","- Mo12 O48 Zr6 -","","","BM5004","Simon Allen; Rebecca Ward; Matthew Hampson; Richard K B Gover; John S O Evans","Structures and phase transitions of trigonal ZrMo~2~O~8~ and HfMo~2~O~8~","Acta Crystallographica Section B","2004","60","1","32","40","10.1107/S0108768103025138","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102218","10.1043","0.0003","10.1043","0.0003","11.732","0.0003","90","","90","","120","","1037.33","0.05","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","?","- Hf6 Mo12 O48 -","- Hf6 Mo12 O48 -","","","BM5004","Simon Allen; Rebecca Ward; Matthew Hampson; Richard K B Gover; John S O Evans","Structures and phase transitions of trigonal ZrMo~2~O~8~ and HfMo~2~O~8~","Acta Crystallographica Section B","2004","60","1","32","40","10.1107/S0108768103025138","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102423","9.597","","9.597","","17.029","","90","","90","","120","","1358.29","","","","","","","","","","","","","6","P -3 1 c","","163","","","","- C18 H42 Cl2 Mn N8 O8 -","- C18 H42 Cl2 Mn N8 -","- C36 H84 Cl4 Mn2 N16 -","2","0.166667","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2103577","10.13792","0.00006","10.13792","0.00006","11.71279","0.00015","90","","90","","120","","1042.53","0.016","298","","298","","200000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","0.92","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103578","10.14778","0.00009","10.14778","0.00009","11.678","0.0002","90","","90","","120","","1041.46","0.02","298","","298","","320000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.14","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103579","10.13896","0.00008","10.13896","0.00008","11.60753","0.00019","90","","90","","120","","1033.37","0.02","298","","298","","420000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.41","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103580","10.14226","0.00012","10.14226","0.00012","11.5334","0.0003","90","","90","","120","","1027.44","0.03","298","","298","","560000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.59","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103581","10.13168","0.00011","10.13168","0.00011","11.479","0.0003","90","","90","","120","","1020.46","0.03","298","","298","","630000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.48","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103582","10.1375","0.00011","10.1375","0.00011","11.4395","0.0003","90","","90","","120","","1018.12","0.03","298","","298","","720000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.49","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103583","10.13183","0.0001","10.13183","0.0001","11.3877","0.0003","90","","90","","120","","1012.38","0.03","298","","298","","800000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.32","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103584","10.1264","0.0001","10.1264","0.0001","11.3252","0.0002","90","","90","","120","","1005.74","0.02","298","","298","","900000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.27","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104880","8.9594","0.0001","8.9594","0.0001","9.5583","0.0001","90","","90","","120","","664.46","0.013","140","2","140","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O3.99996 S Zn -","- C12 H48 N12 O7.99992 S2 Zn2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0216","0.0195","","","0.0467","0.0481","","","","","","1.096","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104881","8.9649","0.0001","8.9649","0.0001","9.5685","0.0001","90","","90","","120","","665.986","0.013","170","2","170","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O3.99996 S Zn -","- C12 H48 N12 O7.99992 S2 Zn2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0226","0.0206","","","0.0492","0.0505","","","","","","1.068","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104882","8.9696","0.0002","8.9696","0.0002","9.5842","0.0001","90","","90","","120","","667.78","0.02","200","2","200","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O3.99996 S Zn -","- C12 H48 N12 O7.99992 S2 Zn2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0245","0.0222","","","0.0564","0.0577","","","","","","1.054","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104883","8.979","0.0001","8.979","0.0001","9.5973","0.0002","90","","90","","120","","670.094","0.018","230","2","230","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O3.99996 S Zn -","- C12 H48 N12 O7.99992 S2 Zn2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0255","0.0233","","","0.0594","0.0608","","","","","","1.083","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104884","8.9855","0.0002","8.9855","0.0002","9.6043","0.0001","90","","90","","120","","671.55","0.02","260","2","260","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O3.99996 S Zn -","- C12 H48 N12 O7.99992 S2 Zn2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0263","0.0238","","","0.0614","0.0631","","","","","","1.048","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104885","8.9929","0.0002","8.9929","0.0002","9.6101","0.0002","90","","90","","120","","673.07","0.03","290","2","290","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O3.99996 S Zn -","- C12 H48 N12 O7.99992 S2 Zn2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0258","0.0233","","","0.0621","0.0635","","","","","","1.057","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104886","8.9387","0.0001","8.9387","0.0001","9.5766","0.0001","90","","90","","120","","662.66","0.013","190","2","190","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Cu N6 O4 S -","- C6 H24 Cu N6 O3.99996 S -","- C12 H48 Cu2 N12 O7.99992 S2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0241","0.0221","","","0.0547","0.0557","","","","","","1.108","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104887","8.9445","0.0001","8.9445","0.0001","9.5826","0.0001","90","","90","","120","","663.936","0.013","210","2","210","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Cu N6 O4 S -","- C6 H24 Cu N6 O3.99996 S -","- C12 H48 Cu2 N12 O7.99992 S2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0243","0.0219","","","0.0557","0.057","","","","","","1.091","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104888","8.9513","0.0001","8.9513","0.0001","9.5876","0.0001","90","","90","","120","","665.293","0.013","230","2","230","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Cu N6 O4 S -","- C6 H24 Cu N6 O3.99996 S -","- C12 H48 Cu2 N12 O7.99992 S2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0255","0.0233","","","0.0591","0.0603","","","","","","1.115","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104889","8.9572","0.0001","8.9572","0.0001","9.5926","0.0001","90","","90","","120","","666.517","0.013","250","2","250","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Cu N6 O4 S -","- C6 H24 Cu N6 O3.99996 S -","- C12 H48 Cu2 N12 O7.99992 S2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0266","0.0238","","","0.0587","0.0609","","","","","","1.097","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104890","8.9664","0.0001","8.9664","0.0001","9.5996","0.0001","90","","90","","120","","668.375","0.013","270","2","270","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Cu N6 O4 S -","- C6 H24 Cu N6 O3.99996 S -","- C12 H48 Cu2 N12 O7.99992 S2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0279","0.0252","","","0.0637","0.0651","","","","","","1.122","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106884","6.927","","6.927","","13.574","","90","","90","","120","","564.065","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","(N H4)2 (Cr (H2 O)6) F5","","- Cr F5 H20 N2 O6 -","- Cr F5 H20 N2 O6 -","- Cr2 F10 H40 N4 O12 -","2","0.166667","","Marsh, R.E.; Herbstein, F.H.","Some additional changes in space groups of published crystal structures","Acta Crystallographica B (39,1983-)","1983","39","","280","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2204047","16.49","0.003","16.49","0.003","8.3485","0.0011","90","","90","","120","","1966","0.6","193","2","193","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","Tris-bis(trimethylsilyl)amido-samarium","Tris[bis(trimethylsilyl)amido]samarium tetrahydrofuran solvate","","- C22 H62 N3 O Si6 Sm -","- C22.08 H62.16 N3 O1.02 Si6 Sm -","- C44.16 H124.32 N6 O2.04 Si12 Sm2 -","2","0.166667","LH6224","Jörg Sundermeyer; Alexandre Khvorost; Klaus Harms","Tris[bis(trimethylsilyl)amido]samarium tetrahydrofuran solvate","Acta Crystallographica Section E","2004","60","8","m1117","m1119","10.1107/S1600536804016435","","","0.71073","MoKα","","0.0972","0.0609","","","0.0949","0.1039","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2214515","9.0029","0.0009","9.0029","0.0009","22.937","0.004","90","","90","","120","","1610","0.4","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","Hexakis(1H-imidazole-κN^3^)nickel(II) sulfate dihydrate","","- C18 H28 N12 Ni O6 S -","- C18 H28.02 N12 Ni O6 S -","- C36 H56.04 N24 Ni2 O12 S2 -","2","0.166667","BI2207","Xiao-Chang Sun; Guang-Peng Zhou; Zhao-Bin Liu; Yan Xu","Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) sulfate dihydrate","Acta Crystallographica Section E","2007","63","8","m2176","m2176","10.1107/S1600536807034472","","","0.71073","MoKα","","0.0646","0.0561","","","0.1719","0.1826","","","","","","1.164","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2226306","8.992","0.0002","8.992","0.0002","9.5927","0.0003","90","","90","","120","","671.71","0.03","298","2","298","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","Tris(ethylenediamine)cobalt(II) sulfate","","- C6 H24 Co N6 O4 S -","- C6 H24 Co N6 O3.998 S -","- C12 H48 Co2 N12 O7.996 S2 -","2","0.166667","TK2667","Yotnoi, Bunlawee; Seeharaj, Athittaya; Chimupala, Yothin; Rujiwatra, Apinpus","Tris(ethylenediamine)cobalt(II) sulfate","Acta Crystallographica Section E","2010","66","6","m628","","10.1107/S1600536810016168","","","0.71073","MoKα","","0.0355","0.0281","","","0.066","0.0689","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2234260","9.5422","0.0003","9.5422","0.0003","9.9977","0.0005","90","","90","","120","","788.37","0.05","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cadmium hexafluoridogermanate","","- C6 H24 Cd F6 Ge N6 -","- C6 H24 Cd F6 Ge N6 -","- C12 H48 Cd2 F12 Ge2 N12 -","2","0.166667","HY2520","Wang, Guo-Ming; Li, Zeng-Xin; Wang, Pei","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cadmium hexafluoridogermanate","Acta Crystallographica Section E","2012","68","4","m396","m397","10.1107/S160053681200983X","","","0.71073","MoKα","","0.0284","0.0235","","","0.0372","0.0383","","","","","","1.16","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238004","9.3664","0.0001","9.3664","0.0001","16.2981","0.0002","90","","90","","120","","1238.26","0.02","100","2","100","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Trisodium potassium dodecamolybdenum tetradecasulfide","","- K Mo12 Na2.9 S14 -","- K Mo12 Na2.9 S14 -","- K2 Mo24 Na5.8 S28 -","2","0.166667","RU2051","Gougeon, Patrick; Gall, Philippe; Salloum, Diala","Na~2.9~KMo~12~S~14~: a novel quaternary reduced molybdenum sulfide containing Mo~12~ clusters with a channel structure","Acta Crystallographica Section E","2013","69","6","i38","","10.1107/S1600536813013603","","","0.71069","MoKα","","0.0306","0.0273","","","0.0695","0.0725","","","","","","1.132","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2311716","16.2448","0.0004","16.2448","0.0004","44.017","0.008","90","","90","","120","","10059.6","1.9","743","","743","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","","","- Cu3.313 Si -","- Cu3.31252 Si -","- Cu636.004 Si192 -","192","16","BP5097","Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš","Crystal structures of η''-Cu<sub>3+x</sub>Si and η'''-Cu<sub>3+x</sub>Si.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 4","767","774","10.1107/S2052520617006163","","","0.71073","MoKα","","0.5448","0.1503","","","0.1468","0.1593","","","","","","2.35","","","","has coordinates","246093","2020-10-21","18:00:00",""
"2312152","8.8811","0.0001","8.8811","0.0001","9.2057","0.0001","90","","90","","120","","628.812","0.012","293","","293","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","","","- Y Zn5.217 -","- Y Zn5.21733 -","- Y6 Zn31.304 -","6","0.5","","Fredrickson, Rie T.; Fredrickson, Daniel C.","As predicted and more: modulated channel occupation in YZn<sub>5+x</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623005292","","x-ray","0.71073","MoKα","","0.056","0.0272","","","0.0788","0.0876","","","","1.94","1.94","1.53","","","","has coordinates,has Fobs","285139","2023-07-11","01:52:09",""
"4000059","8.8775","0.0007","8.8775","0.0007","23.775","0.003","90","","90","","120","","1622.7","0.2","293","2","293","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C6 H28 Cl Co N6 O26 P6 Zn8 -","- C6 H24 Cl Co N6 O26 P6 Zn8 -","- C12 H48 Cl2 Co2 N12 O52 P12 Zn16 -","2","0.166667","","Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren","Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O","Chemistry of Materials","2001","13","9","2972","2978","10.1021/cm010302f","","","0.71073","MoKα","","0.0423","0.041","","","0.1078","0.1089","","","","","","1.162","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000836","4.7054","0.0016","4.7054","0.0016","14.554","0.003","90","","90","","120","","279.07","0.15","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- B2 Be2 Ca F K O6 -","- B2 Be2 Ca F K O6 -","- B4 Be4 Ca2 F2 K2 O12 -","2","0.166667","","Huang, Hongwei; Yao, Jiyong; Lin, Zheshuai; Wang, Xiaoyang; He, Ran; Yao, Wenjiao; Zhai, Naixia; Chen, Chuangtian","Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)","Chemistry of Materials","2011","23","24","5457","","10.1021/cm202870q","","","0.71073","MoKα","","0.0215","0.0193","","","0.0666","0.0688","","","","","","1.09","","","","has coordinates","265253","2021-05-16","09:36:35",""
"4002279","5.908","","5.908","","11.2254","","90","","90","","120","","339.323","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","(V0.187 Cr0.183) (V0.24 Cr0.76) S2","","- Cr0.943 S2 V0.427 -","- Cr0.943333 S2 V0.426667 -","- Cr5.66 S12 V2.56 -","6","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","141160","2020-10-21","18:00:00",""
"4002293","6.7329","","6.7329","","11.6747","","90","","90","","120","","458.333","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Ba2 Cu15.34 As10","","- As10 Ba2 Cu15.34 -","- As10 Ba2 Cu15.342 -","- As10 Ba2 Cu15.342 -","1","0.0833333","","Kim, S.-J.; Kannewurf, C.R.; Ireland, J.; Kanatzidis, M.G.","Ba2 Cu18-x As10: a new mixed-valent ternary copper-rich arsenide with metallic properties","Chemistry of Materials (1,1989-)","2000","12","","3133","3138","","","","","","","","","","","","","","","","","","","","","","has coordinates","141190","2020-10-21","18:00:00",""
"4002759","5.1503","0.0001","5.1503","0.0001","13.8069","0.0006","90","","90","","120","","317.17","0.016","296","2","296","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Ba Fe4 O7 -","- Ba Fe4 O7 -","- Ba2 Fe8 O14 -","2","0.166667","","Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad","BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures","Chemistry of Materials","2017","29","7","2689","","10.1021/acs.chemmater.7b00580","","","0.71073","MoKα","","0.025","0.0189","","","0.045","0.048","","","","","","1.133","","","","has coordinates","195941","2020-10-21","18:00:00",""
"4002830","5.1532","0.0002","5.1532","0.0002","13.8134","0.0006","90","","90","","120","","317.68","0.02","300","2","300","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- Ba0.89 Fe4 K0.21 O7 -","- Ba0.89 Fe4 K0.212 O7 -","- Ba1.78 Fe8 K0.424 O14 -","2","0.166667","","Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad","BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures","Chemistry of Materials","2017","29","7","2689","","10.1021/acs.chemmater.7b00580","","","0.71073","MoKα","","0.0206","0.0174","","","0.0399","0.0409","","","","","","1.393","","","","has coordinates","199570","2020-10-21","18:00:00",""
"4003071","27.016","0.004","27.016","0.004","17.719","0.004","90","","90","","120","","11200","3","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C156 H220 I7 In9 N24 O66 -","- C87 H36 I7.02 In9 N6 O44.98 -","- C174 H72 I14.04 In18 N12 O89.96 -","2","0.166667","","Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian","Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation","Chemistry of Materials","2019","31","3","1084","","10.1021/acs.chemmater.8b04792","","","0.71073","MoKα","","0.0519","0.039","","","0.1119","0.1165","","","","","","1.053","","","","has coordinates,has disorder","220490","2020-10-21","18:00:00",""
"4003072","26.835","0.004","26.835","0.004","17.863","0.004","90","","90","","120","","11140","3","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C144 H193 Cl7 In9 N21 O63 -","- C84 H36 Cl7.02 In9 N6 O44.98 -","- C168 H72 Cl14.04 In18 N12 O89.96 -","2","0.166667","","Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian","Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation","Chemistry of Materials","2019","31","3","1084","","10.1021/acs.chemmater.8b04792","","","0.71073","MoKα","","0.1298","0.1074","","","0.2842","0.2986","","","","","","1.036","","","","has coordinates,has disorder","220491","2020-10-21","18:00:00",""
"4003073","26.945","0.004","26.945","0.004","17.792","0.004","90","","90","","120","","11187","3","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C144 H193 Br7 In9 N21 O63 -","- C84 H36 Br7.02 In9 N6 O44.98 -","- C168 H72 Br14.04 In18 N12 O89.96 -","2","0.166667","","Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian","Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation","Chemistry of Materials","2019","31","3","1084","","10.1021/acs.chemmater.8b04792","","","0.71073","MoKα","","0.0623","0.0519","","","0.1371","0.1413","","","","","","1.097","","","","has coordinates,has disorder","220492","2020-10-21","18:00:00",""
"4003254","13.61328","0.00022","13.61328","","20.249","0.0004","90","","90","","120","","3249.82","0.08","295","","295","","","","","","","","","7","P -3 1 c","-P 3 2c","163","SAPO-56 as-prepared dehydrated","","","- C6.13 H13.23 Al4 N1.4 O16 P3 Si -","- C6.134 H13.234 Al4 N1.614 O16 P3 Si -","- C36.804 H79.404 Al24 N9.684 O96 P18 Si6 -","6","0.5","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.12215","","1.36","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003255","13.7594","0.00031","13.7594","","19.761","0.001","90","","90","","120","","3239.95","0.18","295","","295","","","","","","","","","4","P -3 1 c","-P 3 2c","163","SAPO-56 calcined dehydrated(trimethylamine,diDABCO-C4)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al24 O96 P18 Si6 -","24","2","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.15609","","1.55","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003258","13.8077","0.0005","13.8077","","9.9138","0.0005","90","","90","","120","","1636.87","0.1","295","","295","","","","","","","","","4","P -3 1 c","-P 3 2c","163","SAPO GME calcined dehydrated","","","- Al12 O48 P8.4 Si3.6 -","- Al12 O48 P8.4 Si3.6 -","- Al12 O48 P8.4 Si3.6 -","1","0.0833333","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.06231","","1.41","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003331","13.17398","0.00011","13.17398","","30.0925","0.0009","90","","90","","120","","4522.96","0.14","295","","295","","","","","","","","","7","P -3 1 c","-P 3 2c","163","SAPO-STA-20 as-prepared dehydrated","","","- C1.29 H3.01 Al N0.33 O4.09 P0.95 Si0.05 -","- C1.294 H3.01974 Al N0.323734 O4.08933 P0.95 Si0.05 -","- C46.5841 H108.711 Al36 N11.6544 O147.216 P34.2 Si1.8 -","36","3","","Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A.","STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging","Chemistry of Materials","2017","29","5","2180","","10.1021/acs.chemmater.6b04892","powder diffraction","x-ray","0.826163","","","","","","","","","0.12644","","5.44","","","","","","","has coordinates","231524","2020-10-21","18:00:00",""
"4003332","13.15497","0.00018","13.15497","","30.5833","0.0004","90","","90","","120","","4583.47","0.09","295","","295","","","","","","","","","4","P -3 1 c","-P 3 2c","163","SAPO-STA-20 calcined dehydrated","","","- Al O4 P0.95 Si0.05 -","- Al O4 P0.95 Si0.05 -","- Al36 O144 P34.2 Si1.8 -","36","3","","Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A.","STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging","Chemistry of Materials","2017","29","5","2180","","10.1021/acs.chemmater.6b04892","powder diffraction","x-ray","0.826163","","","","","","","","","0.12103","","4.21","","","","","","","has coordinates","231524","2020-10-21","18:00:00",""
"4029167","17.3549","0.0009","17.3549","0.0009","22.6324","0.0012","90","","90","","120","","5903.4","0.5","298","2","298","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C90 H84 K2 N20 O51 P -","- C90 H84 K2.02 N20 O51 P -","- C180 H168 K4.04 N40 O102 P2 -","2","0.166667","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1706","0.0966","","","0.274","0.3437","","","","","","1.034","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4085766","13.1187","0.0001","13.1187","0.0001","28.3181","0.0005","90","","90","","120","","4220.62","0.09","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C90 H96 Fe2 N6 Na2 O12 -","- C91.3 H96 Fe2 N6 Na2 O12 -","- C182.6 H192 Fe4 N12 Na4 O24 -","2","0.166667","","Li, Lihong; Clarkson, Guy J.; Lees, Martin R.; Howson, Suzanne E.; Tan, Sze-yin; Turner, Scott S.; Scott, Peter","Iron and Manganese Complexes of 2-Carbonyl Pyrrolyls: Scorpionate Sandwich Anions and Extended Structures","Organometallics","2015","34","11","2543","","10.1021/om501218a","","","1.54178","CuKα","","0.0937","0.0843","","","0.2421","0.2536","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086889","25.4325","0.0019","25.4325","0.0019","22.69","0.002","90","","90","","120","","12709.9","1.7","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C37 H53 Cl N4 Pd -","- C37 H53 Cl N4 Pd -","- C444 H636 Cl12 N48 Pd12 -","12","1","","García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José","Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates","Organometallics","2017","36","2","372","","10.1021/acs.organomet.6b00795","","","0.71073","MoKα","","0.0909","0.0529","","","0.1225","0.1543","","","","","","1.079","","","","has coordinates,has disorder","191370","2020-10-21","18:00:00",""
"4104494","8.2512","0.0011","8.2512","0.0011","13.846","0.003","90","","90","","120","","816.4","0.2","173","2","173","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","catena-(Me2NH2)[Fe2(HCOO)6]","catena-(Dimethylammonium bis(μ~2~-formato-O,O')-iron(ii)-iron(iii)","","- C8 H18 Fe2 N O12 -","- C8 H13.98 Fe2 N0.99 O12 -","- C16 H27.96 Fe4 N1.98 O24 -","2","0.166667","","Karl S. Hagen; Sunil G. Naik; Boi Hanh Huynh; Antonio Masello; George Christou","Intensely Colored Mixed-Valence Iron(II) Iron(III) Formate Analogue of Prussian Blue Exhibits Néel N-Type Ferrimagnetism","Journal of the American Chemical Society","2009","131","","7516","7517","10.1021/ja901093b","","x-ray","0.71073","MoKα","","0.0305","0.0279","","","0.0747","0.0765","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106473","13.0591","0.0016","13.0591","0.0016","16.136","0.004","90","","90","","120","","2383.2","0.7","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C32 H40 Li O8 Si3 U -","- C32 H24 Li O8 Si3 U -","- C64 H48 Li2 O16 Si6 U2 -","2","0.166667","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.0419","0.0355","","","0.1002","0.1038","","","","","","1.308","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4109774","19.248","0.001","19.248","0.001","17.868","0.019","90","","90","","120","","5733","6","173","2","173","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C80 H154 Fe12 O50 -","- C72 H132 Fe12 O48 -","- C144 H264 Fe24 O96 -","2","0.166667","","Theocharis C. Stamatatos; Alexander G. Christou; Candace M. Jones; Brian J. O'Callaghan; Khalil A. Abboud; Ted A. O'Brien; George Christou","""Squaring the Circle"": Molecular Squares and Rectangles from Chelate-Induced Structural Transformations of Known Fe10 and New Fe12 Ferric Wheels","Journal of the American Chemical Society","2007","129","","9840","9841","10.1021/ja073236c","","","0.71073","MoKα","","0.1078","0.0519","","","0.113","0.1212","","","","","","0.869","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4110784","15.2238","0.0012","15.2238","0.0012","26.683","0.003","90","","90","","120","","5355.6","0.8","100","2","100","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C21 H17 N1.33 -","- C21 H17 N1.33333 -","- C252 H204 N16 -","12","1","","P. S. Lakshminarayanan; D. Krishna Kumar; Pradyut Ghosh","Solid State Structural Evidence of Chloroform-Benzene-Chloroform Adduct Trapped in Hexaanthryl Octaaminocryptand Channels","Journal of the American Chemical Society","2006","128","","9600","9601","10.1021/ja063228g","","","0.71073","MoKα","","0.1593","0.1042","","","0.2738","0.3069","","","","","","1.031","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110785","15.5002","0.001","15.5002","0.001","25.94","0.004","90","","90","","120","","5397.3","1","100","2","100","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C22.33 H18.33 Cl N1.33 -","- C22.3333 H18.3333 Cl N1.33333 -","- C268 H220 Cl12 N16 -","12","1","","P. S. Lakshminarayanan; D. Krishna Kumar; Pradyut Ghosh","Solid State Structural Evidence of Chloroform-Benzene-Chloroform Adduct Trapped in Hexaanthryl Octaaminocryptand Channels","Journal of the American Chemical Society","2006","128","","9600","9601","10.1021/ja063228g","","","0.71073","MoKα","","0.1498","0.08","","","0.188","0.2333","","","","","","1.014","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4114018","16.9608","0.001","16.9608","0.001","24.7593","0.0014","90","","90","","120","","6168.2","0.6","150","2","150","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C85 H125 B2 F8 N18 Na5 Ni9 O42 -","- C85.02 H90 B2 F8 N18 Na5 Ni9 O42.04 -","- C170.04 H180 B4 F16 N36 Na10 Ni18 O84.08 -","2","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.1066","0.0731","","","0.1751","0.2065","","","","","","1.234","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114711","26.493","0.002","26.493","0.002","37.545","0.006","90","","90","","120","","22822","4","170","2","170","2","","","","","","","","9","P -3 1 c","-P 3 2c","163","star-shaped tricluster T1","","","- C108 H237 F36 N6 O9.5 P15 Re18 Sb6 Se24 -","- C108 H237 F35.94 N6 O9.5 P15 Re18 Sb5.99 Se24 -","- C432 H948 F143.76 N24 O38 P60 Re72 Sb23.96 Se96 -","4","0.333333","","Bryan K. Roland; Hugh D. Selby; Michael D. Carducci; Zhiping Zheng","Built to Order: Molecular Tinkertoys from the [Re6(μ3-Se)8]2+ Clusters","Journal of the American Chemical Society","2002","124","","3222","3223","10.1021/ja025869r","","","0.71073","MoKα","","0.1865","0.091","","","0.1962","0.2792","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114932","14.2312","0.0004","14.2312","0.0004","28.1433","0.001","90","","90","","120","","4936.2","0.3","293","2","293","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C72 H126 Cl3 K Mn Mo6 N36 O12 -","- C72 H126 Cl3 K Mn Mo6 N36 O12.04 -","- C144 H252 Cl6 K2 Mn2 Mo12 N72 O24.08 -","2","0.166667","","Jennifer J. Sokol; Allan G. Hee; Jeffrey R. Long","A Cyano-Bridged Single-Molecule Magnet: Slow Magnetic Relaxation in a Trigonal Prismatic MnMo6(CN)18 Cluster","Journal of the American Chemical Society","2002","124","","7656","7657","10.1021/ja0263846","","","0.71073","MoKα","","0.0718","0.0514","","0.1375","0.128","","","","1.066","1.172","1.172","","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4118946","8.255","0.0012","8.255","0.0012","13.891","0.003","90","","90","","120","","819.8","0.2","220","2","220","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H13.98 Fe2 N0.99 O12 -","- C16 H27.96 Fe4 N1.98 O24 -","2","0.166667","","Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal","The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework","Journal of the American Chemical Society","2012","134","","19772","19781","10.1021/ja3082457","","neutron","","neutron","","0.2406","0.18","","","0.2635","0.2777","","","","","","1.513","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118947","8.2485","0.0002","8.2485","0.0002","13.8542","0.0005","90","","90","","120","","816.32","0.04","175","2","175","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H13.98 Fe2 N0.99 O12 -","- C16 H27.96 Fe4 N1.98 O24 -","2","0.166667","","Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal","The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework","Journal of the American Chemical Society","2012","134","","19772","19781","10.1021/ja3082457","","neutron","0.948","neutron","","0.0497","0.0389","","","0.083","0.0875","","","","","","1.062","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4120119","20.8131","0.001","20.8131","0.001","23.185","0.002","90","","90","","120","","8697.8","1","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C42 H24 In3 N0 O16 -","- C42 H24 In3 O16 -","- C84 H48 In6 O32 -","2","0.166667","","Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu","Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites","Journal of the American Chemical Society","2013","135","","10270","10273","10.1021/ja4044642","","","0.71073","MoKα","","0.0481","0.0296","","","0.0659","0.0682","","","","","","0.883","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120120","18.7843","0.0008","18.7843","0.0008","25.0267","0.0011","90","","90","","120","","7647.6","0.6","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C60 H38 In3 N3 O20 Zn -","- C60 H36 In3 N3 O20 Zn -","- C120 H72 In6 N6 O40 Zn2 -","2","0.166667","","Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu","Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites","Journal of the American Chemical Society","2013","135","","10270","10273","10.1021/ja4044642","","","0.71073","MoKα","","0.0704","0.0381","","","0.0914","0.0971","","","","","","0.876","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120121","18.8658","0.0004","18.8658","0.0004","24.6975","0.0013","90","","90","","120","","7612.6","0.5","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C60 H36 Co2 In3 N3 O22 -","- C60 H36 Co2 In3 N3 O21.98 -","- C120 H72 Co4 In6 N6 O43.96 -","2","0.166667","","Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu","Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites","Journal of the American Chemical Society","2013","135","","10270","10273","10.1021/ja4044642","","","0.71073","MoKα","","0.0713","0.0576","","","0.1697","0.175","","","","","","1.02","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4123338","16.7342","0.0003","16.7342","0.0003","15.233","0.0005","90","","90","","120","","3694.25","0.15","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C54 H24 N6 Ni3 O13 -","- C54 H24 N6 Ni3 O13 -","- C108 H48 N12 Ni6 O26 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0715","0.0592","","","0.1762","0.184","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123339","16.6706","0.0002","16.6706","0.0002","20.9026","0.0004","90","","90","","120","","5030.76","0.13","174","2","174","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C54 H30 N6 Ni3 O13 -","- C54 H30 N6 Ni3 O13 -","- C108 H60 N12 Ni6 O26 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0497","0.0356","","","0.0885","0.0929","","","","","","0.941","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123443","37.1295","0.0019","37.1295","0.0019","30.052","0.0017","90","","90","","120","","35879","3","298","2","298","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","MOF-177-H","","","- C216 H72 F12 N0 O52 Zn16 -","- C216 H72 F12 O52 Zn16 -","- C432 H144 F24 O104 Zn32 -","2","0.166667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1023","0.0859","","","0.2579","0.2731","","","","","","1.13","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123444","37.1842","0.0008","37.1842","0.0008","29.9546","0.0007","90","","90","","120","","35868.3","1.4","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","MOF-177-E","","","- C172.5 H115.5 O38 Zn8 -","- C172.5 H115.5 O38 Zn8 -","- C690 H462 O152 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1602","0.1344","","","0.3822","0.4024","","","","","","1.531","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123445","37.149","0.005","37.149","0.005","30.032","0.007","90","","90","","120","","35893","11","223","2","223","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-J","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C432 H288 N48 O104 Zn32 -","8","0.666667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.9","","","0.1023","0.0812","","","0.2196","0.2367","","","","","","0.899","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123447","36.78","0.013","36.78","0.013","29.9","0.011","90","","90","","120","","35029","2","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","MOF-177-G","","","- C78 H30 O13 Zn4 -","- C78 H30 O13 Zn4 -","- C624 H240 O104 Zn32 -","8","0.666667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.7749","","","0.15","0.1247","","","0.3228","0.344","","","","","","1.309","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123448","37.09","0.004","37.09","0.004","29.987","0.004","90","","90","","120","","35725","7","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-K","","","- C121 H64.15 N4 O26 Zn8 -","- C120.33 H64.263 N4.02 O26 Zn8 -","- C481.32 H257.052 N16.08 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1319","0.1157","","","0.3316","0.3489","","","","","","1.606","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123449","37.227","0.003","37.227","0.003","30.149","0.003","90","","90","","120","","36184","5","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","MOF-177-F","","","- C108 H36 F24 N0 O26 Zn8 -","- C108 H36 F24 O26 Zn8 -","- C432 H144 F96 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1811","0.1268","","","0.3274","0.346","","","","","","1.308","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123450","37.099","0.005","37.099","0.005","30.042","0.005","90","","90","","120","","35808","9","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MTV-MOF-177-AF1","","","- C54 H25.69 F3.8 O13 Zn4 -","- C54 H25.683 F3.804 O13 Zn4 -","- C432 H205.464 F30.432 O104 Zn32 -","8","0.666667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.0899","0.08","","","0.2166","0.2237","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123451","37.083","0.0013","37.083","0.0013","30.0291","0.0011","90","","90","","120","","35762","2","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-I","","","- C114 H54 N0 O26 Zn8 -","- C123 H54 O26 Zn8 -","- C492 H216 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1577","0.1133","","","0.3215","0.3511","","","","","","1.261","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123453","37.151","0.0003","37.151","0.0003","30.042","0.0007","90","","90","","120","","35908.8","0.9","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","MOF-177-D","","","- C115.5 H67.5 O33.5 Zn8 -","- C115.5 H67.5 O33.5 Zn8 -","- C462 H270 O134 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1315","0.097","","","0.2702","0.2944","","","","","","0.986","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123454","37.1916","0.0008","37.1916","0.0008","29.9793","0.0007","90","","90","","120","","35912.2","1.4","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-B","","","- C108 H60 N12 O26 Zn8 -","- C108 H60 N12 O26 Zn8 -","- C432 H240 N48 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1259","0.0829","","","0.2487","0.261","","","","","","0.982","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123758","16.5692","0.001","16.5692","0.001","18.2847","0.0011","90","","90","","120","","4347.3","0.5","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C51 H48 I6 Mn6 N12 O20 -","- C51 H45 Mn6 N12 O20 -","- C102 H90 Mn12 N24 O40 -","2","0.166667","","Nguyen, Tu N.; Shiddiq, Muhandis; Ghosh, Tuhin; Abboud, Khalil A.; Hill, Stephen; Christou, George","Covalently Linked Dimer of Mn3 Single-Molecule Magnets and Retention of Its Structure and Quantum Properties in Solution.","Journal of the American Chemical Society","2015","137","22","7160","7168","10.1021/jacs.5b02677","","","0.71073","MoKα","","0.0615","0.0496","","","0.1315","0.1383","","","","","","1.063","","","","has coordinates","140103","2020-10-21","18:00:00",""
"4129837","37.166","0.005","37.166","0.005","30.111","0.006","90","","90","","120","","36020","10","293.15","","293.15","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C54 H30 O13 Zn4 -","- C39.987 H18.237 O9.9922 Zn2.9974 -","- C319.896 H145.896 O79.9376 Zn23.9792 -","8","0.666667","","Feng, Yongqiang; Wang, Taishan; Li, Yongjian; Li, Jie; Wu, Jingyi; Wu, Bo; Jiang, Li; Wang, Chunru","Steering Metallofullerene Electron Spin in Porous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","47","15055","15060","10.1021/jacs.5b10796","","","0.71073","MoKα","","0.1512","0.1282","","","0.3091","0.3226","","","","","","1.641","","","","has coordinates,has disorder","240490","2020-10-21","18:00:00",""
"4130553","30.5957","0.0007","30.5957","0.0007","30.7966","0.0008","90","","90","","120","","24966.3","1","173","0.14","173","0.14","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C336 H210 Ag30 Au80 Cl15 -","- C336 H210 Ag30 Au80 Cl15 -","- C672 H420 Ag60 Au160 Cl30 -","2","0.166667","","Zeng, Jiu-Lian; Guan, Zong-Jie; Du, Yang; Nan, Zi-Ang; Lin, Yu-Mei; Wang, Quan-Ming","Chloride-Promoted Formation of a Bimetallic Nanocluster Au80Ag30 and the Total Structure Determination.","Journal of the American Chemical Society","2016","138","25","7848","7851","10.1021/jacs.6b04471","","","1.54184","CuKα","","0.1086","0.0801","","","0.2457","0.267","","","","","","1.209","","","","has coordinates,has disorder","240961","2020-10-21","18:00:00",""
"4130924","13.8392","0.001","13.8392","0.001","23.269","0.0018","90","","90","","120","","3859.5","0.5","174","2","174","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C42 H6 Cl4 Co2 In3 N9 O16 -","- C42 H6 Cl4.06 Co2 In3 N9 O15.94 -","- C84 H12 Cl8.12 Co4 In6 N18 O31.88 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0875","0.0545","","","0.1707","0.1826","","","","","","1.162","","","","has coordinates,has disorder","241266","2020-10-21","18:00:00",""
"4135540","28.7906","0.0004","28.7906","0.0004","41.6357","0.0019","90","","90","","120","","29888.1","1.5","100.2","0.9","100.2","0.9","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C284 H330 N54 O88 Pd6 -","- C284 H330 N54 O88 Pd6 -","- C568 H660 N108 O176 Pd12 -","2","0.166667","","Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12064","","","1.3405","GaKα","","0.2206","0.1695","","","0.4232","0.4816","","","","","","1.65","","","","has coordinates","261124","2021-01-21","23:58:23",""
"4300602","9.172","0.0007","9.172","0.0007","16.403","0.004","90","","90","","120","","1195","0.3","293","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- K2.3 Mo12 S14 -","- K2.31 Mo12 S14 -","- K4.62 Mo24 S28 -","2","0.166667","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051622u","","","","","","","","","","","","","","","1.01","1.01","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300603","9.1476","0.0004","9.1476","0.0004","16.421","0.001","90","","90","","120","","1189.99","0.1","293","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- K2.12 Mo12 S14 -","- K2.121 Mo12 S14 -","- K4.242 Mo24 S28 -","2","0.166667","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051622u","","","","","","","","","","","","","","","1.07","1.07","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300604","9.199","0.0004","9.199","0.0004","16.426","0.004","90","","90","","120","","1203.8","0.3","293","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- K2.57 Mo12 S14 -","- K2.57 Mo12 S14 -","- K5.14 Mo24 S28 -","2","0.166667","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051622u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300605","9.0797","0.0009","9.0797","0.0009","16.412","0.006","90","","90","","120","","1171.8","0.5","293","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- K Mo12 S14 -","- K Mo12 S14 -","- K2 Mo24 S28 -","2","0.166667","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051622u","","","","","","","","","","","","","","","1.59","1.59","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303040","9.9793","0.0002","9.9793","0.0002","6.373","0.0002","90","","90","","120","","549.64","0.02","293","2","293","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Cs1.15 Mo12 S14 -","- Cs1.1478 Mo12 S14 -","- Cs1.1478 Mo12 S14 -","1","0.0833333","","Patrick Gougeon; Diala Salloum; Jérôme Cuny; Laurent Le Pollès; Marie Le Floch; Régis Gautier; Michel Potel","Synthesis, Electronic and Crystal Structures, and Physical Studies of the Superconductor Cs~1Mo12S14, Final Step of the Condensation of the Mo6L8iL6a Unit","Inorganic Chemistry","2009","48","","8337","8341","10.1021/ic900960g","","","0.71069","MoKα","","0.0203","0.0163","","","0.0315","0.0323","","","","","","1.187","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4304210","16.404","0.005","16.404","0.005","8.306","0.005","90","","90","","120","","1935.6","1.4","141","2","141","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C23 H66 N3 Pu Si6 -","- C18 H54 N3 Pu Si6 -","- C36 H108 N6 Pu2 Si12 -","2","0.166667","","Andrew J. Gaunt; Alejandro E. Enriquez; Sean D. Reilly; Brian L. Scott; Mary P. Neu","Structural Characterization of Pu[N(SiMe3)2]3, a Synthetically Useful Nonaqueous Plutonium(III) Precursor","Inorganic Chemistry","2008","47","","26","28","10.1021/ic701673e","","","0.71073","MoKα","","0.1026","0.0705","","","0.1628","0.1787","","","","","","1.102","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304905","20.9364","0.0003","20.9364","0.0003","43.7686","0.0013","90","","90","","120","","16614.9","0.6","123","2","123","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C52 H80 Al2 O4 Yb -","- C52 H80 Al2 O4 Yb -","- C624 H960 Al24 O48 Yb12 -","12","1","","Hanne-Marthe Sommerfeldt; Christian Meermann; Karl W. Törnroos; Reiner Anwander","Distinct Reaction Pathways of Peralkylated LnIIAlIII Heterobimetallic Complexes with Substituted Phenols","Inorganic Chemistry","2008","47","","4696","4705","10.1021/ic702517s","","","0.71073","MoKα","","0.0514","0.0458","","","0.0849","0.0867","","","","","","1.221","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4306607","11.9272","0.0001","11.9272","0.0001","48.4712","0.0011","90","","90","","120","","5971.61","0.15","293","2","293","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C12 H18 Cl4 Na20 Ni8 O115.5 Si2 W18 -","- C12 H18 Cl4 Na19.96 Ni8 O115.48 Si2 W18 -","- C24 H36 Cl8 Na39.92 Ni16 O230.96 Si4 W36 -","2","0.166667","","Céline Pichon; Pierre Mialane; Anne Dolbecq; Jérôme Marrot; Eric Rivière; Bassem S. Bassil; Ulrich Kortz; Bineta Keita; Louis Nadjo; Francis Sécheresse","Octa- and Nonanuclear Nickel(II) Polyoxometalate Clusters: Synthesis and Electrochemical and Magnetic Characterizations","Inorganic Chemistry","2008","47","","11120","11128","10.1021/ic801431f","","","0.71073","MoKα","","0.0858","0.0773","","","0.2133","0.2342","","","","","","1.095","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4307749","12.814","0.004","12.814","0.004","9.338","0.004","90","","90","","120","","1327.9","0.8","294","2","294","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H22.5 Cu La1.5 N6 O20 -","- C18 H6 Cu La1.48 N6 O19.98 -","- C36 H12 Cu2 La2.96 N12 O39.96 -","2","0.166667","","Feng-Qin Wang; Xiang-Jun Zheng; Yong-Hong Wan; Chang-Yan Sun; Zhe-Ming Wang; Ke-Zhi Wang; Lin-Pei Jin","Novel 3D LnIII-CuI Supramolecular Architecture Based on 2D MOFs with (6,3) Topology","Inorganic Chemistry","2007","46","","2956","2958","10.1021/ic062236v","","","0.71073","MoKα","","0.0606","0.0462","","","0.1028","0.1087","","","","","","1.221","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4307750","12.659","0.008","12.659","0.008","9.492","0.006","90","","90","","120","","1317.3","1.4","294","2","294","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H22.5 Cu Eu1.5 N6 O20 -","- C18 H6 Cu Eu1.52 N6 O19.98 -","- C36 H12 Cu2 Eu3.04 N12 O39.96 -","2","0.166667","","Feng-Qin Wang; Xiang-Jun Zheng; Yong-Hong Wan; Chang-Yan Sun; Zhe-Ming Wang; Ke-Zhi Wang; Lin-Pei Jin","Novel 3D LnIII-CuI Supramolecular Architecture Based on 2D MOFs with (6,3) Topology","Inorganic Chemistry","2007","46","","2956","2958","10.1021/ic062236v","","","0.71073","MoKα","","0.0385","0.0284","","","0.0779","0.0841","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4307751","12.6203","0.0011","12.6203","0.0011","9.4547","0.0017","90","","90","","120","","1304.1","0.3","294","2","294","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H22.5 Cu Gd1.5 N6 O20 -","- C18 H6 Cu Gd1.5 N6 O19.98 -","- C36 H12 Cu2 Gd3 N12 O39.96 -","2","0.166667","","Feng-Qin Wang; Xiang-Jun Zheng; Yong-Hong Wan; Chang-Yan Sun; Zhe-Ming Wang; Ke-Zhi Wang; Lin-Pei Jin","Novel 3D LnIII-CuI Supramolecular Architecture Based on 2D MOFs with (6,3) Topology","Inorganic Chemistry","2007","46","","2956","2958","10.1021/ic062236v","","","0.71073","MoKα","","0.0488","0.0303","","","0.0688","0.0755","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309426","9.8716","0.0007","9.8716","0.0007","25.642","0.002","90","","90","","120","","2164","0.3","180","2","180","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C36 H57 Cl3 Cu2 N8 O14 -","- C36 H57 Cl3 Cu2 N8 O14.02 -","- C72 H114 Cl6 Cu4 N16 O28.04 -","2","0.166667","","Andrew D. Bond; Sofia Derossi; Frank Jensen; Frank B. Larsen; Christine J. McKenzie; Jane Nelson","Squeezing the [Cu-OH...H2O-Cu]3+ Bridge by Cryptate Encapsulation","Inorganic Chemistry","2005","44","","5987","5989","10.1021/ic0505091","","","0.71073","MoKα","","0.0535","0.0452","","","0.1321","0.1401","","","","","","1.048","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309668","14.3827","0.0019","14.3827","0.0019","19.992","0.004","90","","90","","120","","3581.5","1","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C24 H81 N6 O48 P12 Ru6 -","- C24 H81.012 N6 O48.002 P12 Ru6 -","- C48 H162.024 N12 O96.004 P24 Ru12 -","2","0.166667","","Bin Liu; Yi-Zhi Li; Li-Min Zheng","Mixed-Valent Diruthenium Diphosphonate with Kagomé Structure","Inorganic Chemistry","2005","44","","6921","6923","10.1021/ic050821a","","","0.71073","MoKα","","0.0696","0.045","","","0.0755","0.0793","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4312283","19.1896","0.0004","19.1896","0.0004","21.0249","0.0009","90","","90","","120","","6705","0.3","213","2","213","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C150 H140 N6 O19 P6 Rh6 -","- C150 H114 N6 O18.99 P6 Rh6 -","- C300 H228 N12 O37.98 P12 Rh12 -","2","0.166667","","F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 1. Compounds Prepared from Racemic cis-Rh2(C6H4PPh2)2(OAc)2","Inorganic Chemistry","2004","43","","8394","8403","10.1021/ic0492183","","","0.71073","MoKα","","0.0432","0.0308","","","0.08","0.0931","","","","","","1.145","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4317033","8.2699","0.0012","8.2699","0.0012","13.93","0.003","90","","90","","120","","825.1","0.2","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H13.98 Fe2 N0.99 O12 -","- C16 H27.96 Fe4 N1.98 O24 -","2","0.166667","","Jiong-Peng Zhao; Bo-Wen Hu; Francesc Lloret; Jun Tao; Qian Yang; Xiao-Feng Zhang; Xian-He Bu","Magnetic Behavior Control in Niccolite Structural Metal Formate Frameworks [NH2(CH3)2][FeIIIMII(HCOO)6] (M = Fe, Mn, and Co) by Varying the Divalent Metal Ions","Inorganic Chemistry","2010","49","","10390","10399","10.1021/ic1014863","","","0.71073","MoKα","","0.0317","0.0287","","","0.0629","0.064","","","","","","1.276","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317034","8.2366","0.0012","8.2366","0.0012","13.84","0.003","90","","90","","120","","813.1","0.2","113.15","","113.15","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H13.98 Fe2 N0.99 O12 -","- C16 H27.96 Fe4 N1.98 O24 -","2","0.166667","","Jiong-Peng Zhao; Bo-Wen Hu; Francesc Lloret; Jun Tao; Qian Yang; Xiao-Feng Zhang; Xian-He Bu","Magnetic Behavior Control in Niccolite Structural Metal Formate Frameworks [NH2(CH3)2][FeIIIMII(HCOO)6] (M = Fe, Mn, and Co) by Varying the Divalent Metal Ions","Inorganic Chemistry","2010","49","","10390","10399","10.1021/ic1014863","","","0.71073","MoKα","","0.0403","0.037","","","0.0903","0.0922","","","","","","1.089","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317035","8.3151","0.0012","8.3151","0.0012","14.001","0.003","90","","90","","120","","838.3","0.2","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H13.98 Fe Mn N0.99 O12 -","- C16 H27.96 Fe2 Mn2 N1.98 O24 -","2","0.166667","","Jiong-Peng Zhao; Bo-Wen Hu; Francesc Lloret; Jun Tao; Qian Yang; Xiao-Feng Zhang; Xian-He Bu","Magnetic Behavior Control in Niccolite Structural Metal Formate Frameworks [NH2(CH3)2][FeIIIMII(HCOO)6] (M = Fe, Mn, and Co) by Varying the Divalent Metal Ions","Inorganic Chemistry","2010","49","","10390","10399","10.1021/ic1014863","","","0.71073","MoKα","","0.0395","0.0342","","","0.0687","0.0703","","","","","","1.276","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317036","8.2486","0.0012","8.2486","0.0012","13.79","0.003","90","","90","","120","","812.6","0.2","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H13.98 Co Fe N0.99 O12 -","- C16 H27.96 Co2 Fe2 N1.98 O24 -","2","0.166667","","Jiong-Peng Zhao; Bo-Wen Hu; Francesc Lloret; Jun Tao; Qian Yang; Xiao-Feng Zhang; Xian-He Bu","Magnetic Behavior Control in Niccolite Structural Metal Formate Frameworks [NH2(CH3)2][FeIIIMII(HCOO)6] (M = Fe, Mn, and Co) by Varying the Divalent Metal Ions","Inorganic Chemistry","2010","49","","10390","10399","10.1021/ic1014863","","","0.71073","MoKα","","0.0324","0.0296","","","0.0651","0.0664","","","","","","1.259","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4319477","9.216","0.007","9.216","0.007","16.711","0.015","90","","90","","120","","1229.2","1.7","293","0.2","293","0.2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Ga H4.8 Na O8.4 Te2 -","- Ga2 Na2 O16.7867 Te4 -","- Ga6 Na6 O50.36 Te12 -","3","0.25","","N. S. P. Bhuvanesh; P. Shiv Halasyamani","Synthesis and Characterization of NaGaTe2O6.2.4H2O: A New Open-Framework Tellurite Related to Zemannite","Inorganic Chemistry","2001","40","","1404","1405","10.1021/ic001301c","","","0.71073","MoKα","","0.0169","0.0165","","0.0434","0.0433","","","","1.338","1.347","1.347","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4320145","15.345","0.001","15.345","0.001","24.412","0.002","90","","90","","120","","4978.1","0.6","200","2","200","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C72 H120 Cu12 P6 Te9 -","- C72 H120 Cu12 P6 Te9 -","- C144 H240 Cu24 P12 Te18 -","2","0.166667","","Marty W. DeGroot; Michael W. Cockburn; Mark S. Workentin; John F. Corrigan","Trialkylphosphine-Stabilized Copper-Phenyltellurolate Complexes: From Small Molecules to Nanoclusters via Condensation Reactions","Inorganic Chemistry","2001","40","","4678","4685","10.1021/ic001260k","","","0.71073","MoKα","","0.0717","0.056","","","0.1445","0.1552","","","","","","1.039","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00",""
"4320308","11.1903","0.0007","11.1903","0.0007","15.6","0.002","90","","90","","120","","1691.8","0.3","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Cl18 Cs2 Nb6 O6 Ti4 -","- Cl18 Cs1.969 Nb6 O6 Ti4 -","- Cl36 Cs3.938 Nb12 O12 Ti8 -","2","0.166667","","Ekaterina V. Anokhina; Cynthia S. Day; Abdessadek Lachgar","A New Quasi-One-Dimensional Niobium Oxychloride Cluster Compound Cs2Ti4Nb6Cl18O6: Structural Effects of Ligand Combination","Inorganic Chemistry","2001","40","","5072","5076","10.1021/ic010392q","","","0.71073","MoKα","","0.1027","0.0477","","0.0686","0.0556","","","","","1.042","1.042","0.976","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4320310","5.8258","0.0006","5.8258","0.0006","17.841","0.003","90","","90","","120","","524.4","0.12","293","2","293","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Li24 Mn3 N11 -","- Li16 Mn2 N7.238 -","- Li32 Mn4 N14.476 -","2","0.166667","","Niewa, R.; Hochrein, O.; Schnelle, W.; Wagner, F.R.; Kniep, R.","Li~24~[MnN~3~]~3~N~2~ and Li~5~[(Li~1-x~Mn~x~)N]~3~, Two Intermediates in the Decomposition Path of Li~7~[MnN~4~] to Li~2~[(Li~1-x~Mn~x~)N]: An Experimental and Theoretical Study","Inorganic Chemistry","2001","40","20","5215","5222","10.1021/ic010412o","","","0.71073","MoKα","","0.0217","0.0143","","","0.0324","0.0346","","","","","","1.25","","","","has coordinates","210305","2020-10-21","18:00:00",""
"4320799","9.8333","0.0002","9.8333","0.0002","14.1252","0.0001","90","","90","","120","","1182.83","0.04","153","2","153","2","","","","","","","synthetic","5","P -3 1 c","-P 3 2c","163","","","","- Cl6 Cs2 Os2 Re4 Se8 -","- Cl6 Cs2 Os1.98 Re4.02 Se8 -","- Cl12 Cs4 Os3.96 Re8.04 Se16 -","2","0.166667","","Eric G. Tulsky; Jeffrey R. Long","Heterometal Substitution in the Dimensional Reduction of Cluster Frameworks: Synthesis of Soluble [Re6-nOsnSe8Cl6](4-n) (n = 1-3) Cluster-Containing Solids","Inorganic Chemistry","2001","40","","6990","7002","10.1021/ic010867d","","","0.71073","MoKα","","0.0709","0.0592","","0.1528","0.1457","","","","1.233","1.34","1.34","","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4324612","10.2525","0.0005","10.2525","0.0005","17.3972","0.0013","90","","90","","120","","1583.69","0.16","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Ammonium uranyl germanate hydroxide","","- Ge2 H N O38 U11 -","- Ge2 N O38 U11 -","- Ge4 N2 O76 U22 -","2","0.166667","","Jessica M. Morrison; Laura J. Moore-Shay; Peter C. Burns","U(VI) Uranyl Cation-Cation Interactions in Framework Germanates","Inorganic Chemistry","2011","50","","2272","2277","10.1021/ic1019444","","","0.71073","MoKα","","0.0383","0.0349","","","0.096","0.0977","","","","","","1.199","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324613","10.2012","0.0005","10.2012","0.0005","17.157","0.0012","90","","90","","120","","1546.23","0.15","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Barium uranyl germanate","","- Ba Ge2 O38 U11 -","- Ba Ge2 O38 U11 -","- Ba2 Ge4 O76 U22 -","2","0.166667","","Jessica M. Morrison; Laura J. Moore-Shay; Peter C. Burns","U(VI) Uranyl Cation-Cation Interactions in Framework Germanates","Inorganic Chemistry","2011","50","","2272","2277","10.1021/ic1019444","","","0.71073","MoKα","","0.0313","0.0267","","","0.075","0.0772","","","","","","1.14","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324614","10.226","0.004","10.226","0.004","17.15","0.009","90","","90","","120","","1553.1","1.2","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Potassium uranyl germanmate hydroxide","","- Ge2 H K O38 U11 -","- Ge2 K O38 U11 -","- Ge4 K2 O76 U22 -","2","0.166667","","Jessica M. Morrison; Laura J. Moore-Shay; Peter C. Burns","U(VI) Uranyl Cation-Cation Interactions in Framework Germanates","Inorganic Chemistry","2011","50","","2272","2277","10.1021/ic1019444","","","0.71073","MoKα","","0.0307","0.0232","","","0.0561","0.0593","","","","","","1.006","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324615","10.2668","0.0005","10.2668","0.0005","17.0558","0.0011","90","","90","","120","","1556.94","0.15","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Lithium uranyl germanate hydroxide","","- Ge2 Li3 O39 U11 -","- Ge2 Li6 O39 U11 -","- Ge4 Li12 O78 U22 -","2","0.166667","","Jessica M. Morrison; Laura J. Moore-Shay; Peter C. Burns","U(VI) Uranyl Cation-Cation Interactions in Framework Germanates","Inorganic Chemistry","2011","50","","2272","2277","10.1021/ic1019444","","","0.71073","MoKα","","0.0287","0.0236","","","0.0521","0.0536","","","","","","1.201","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4326115","13.4196","0.0003","13.4196","0.0003","19.946","0.0005","90","","90","","120","","3110.75","0.13","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","Tris{η^3^-μ-1,3-bis{[6-(methoxycarbonyl)-2-pyridyl]methyl}imidazol-2- ylidene}trisilver(I) tetrafluoroborate acetonitrile solvate","Triangulo-tris{η^3^-μ~2~-1,3-bis{[6-(methoxycarbonyl)-2-pyridyl- κN]methyl}-2<i>H</i>-imidazol-2-ylidene-κC}trisilver(I) 3(Ag—Ag) tetrafluoroborate ethanenitrile solvate","","- C59 H57 Ag3 B3 F12 N13 O12 -","- C59 H54 Ag3 B3 F12 N13 O12 -","- C118 H108 Ag6 B6 F24 N26 O24 -","2","0.166667","","Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin","Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters","Inorganic Chemistry","2011","50","","8465","8476","10.1021/ic201053t","","","0.71073","MoKα","","0.0688","0.0564","","","0.1311","0.1359","","","","","","1.112","","","","has coordinates","194622","2020-10-21","18:00:00",""
"4327330","6.541","0.0009","6.541","0.0009","13.263","0.003","90","","90","","120","","491.43","0.15","293","2","293","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- Bi Cu P2 Se6 -","- Bi Cu P2 Se6 -","- Bi2 Cu2 P4 Se12 -","2","0.166667","","Matthew A. Gave; Daniel Bilc; S. D. Mahanti; Jean D. Breshears; Mercouri G. Kanatzidis","On the Lamellar Compounds CuBiP2Se6, AgBiP2Se6 and AgBiP2S6. Antiferroelectric Phase Transitions Due to Cooperative Cu+ and Bi3+ Ion Motion","Inorganic Chemistry","2005","44","","5293","5303","10.1021/ic050357+","","","0.71073","MoKα","","0.0549","0.0494","","","0.133","0.1389","","","","","","1.232","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327611","12.288","0.0001","12.288","0.0001","23.3681","0.0002","90","","90","","120","","3055.74","0.04","213","2","213","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C31 H65 Cl4 Fe3 O18 -","- C31 H61.96 Cl3.99 Fe3 O17.98 -","- C62 H123.92 Cl7.98 Fe6 O35.96 -","2","0.166667","","Remle Çelenligil-Çetin; Richard J. Staples; Pericles Stavropoulos","Synthesis, Characterization, and Reactivity of Ferrous and Ferric Oxo/Peroxo Pivalate Complexes in Relation to Gif-Type Oxygenation of Substrates","Inorganic Chemistry","2000","39","","5838","5846","10.1021/ic000261+","","","0.71073","MoKα","","0.1339","0.0803","","","0.2203","0.2423","","","","","","1.021","","","","has coordinates,has disorder","179379","2020-10-21","18:00:00",""
"4329446","15.2054","0.0004","15.2054","0.0004","37.4914","0.0009","90","","90","","120","","7506.9","0.3","223","2","223","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C43 H86 Cl3 Cu8 F6 N6 P S12 -","- C43 H86 Cl3 Cu8 F6 N6 P S12 -","- C172 H344 Cl12 Cu32 F24 N24 P4 S48 -","4","0.333333","","Ping-Kuei Liao; Ching-Shiang Fang; Alison J. Edwards; Samia Kahlal; Jean-Yves Saillard; C. W. Liu","Hydrido Copper Clusters Supported by Dithiocarbamates: Oxidative Hydride Removal and Neutron Diffraction Analysis of [Cu7(H){S2C(aza-15-crown-5)}6]","Inorganic Chemistry","2012","51","","6577","6591","10.1021/ic300135w","","","0.71073","MoKα","","0.055","0.0467","","","0.1586","0.1664","","","","","","1.14","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4331401","6.1736","","6.1736","","12.897","","90","","90","","120","","425.693","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Ag Sc (P2 S6)","","- Ag P2 S6 Sc -","- Ag P2 S6 Sc -","- Ag2 P4 S12 Sc2 -","2","0.166667","","Lee, S.; Colombet, P.; Ouvrard, G.; Brec, R.","General trends observed in the substituted thiophosphate family. Synthesis and structure of Ag Sc P2 S6 and Cd Fe P2 S6.","Inorganic Chemistry","1988","27","","1291","1294","10.1021/ic00280a041","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332265","8.237","0.003","8.237","0.003","6.555","0.003","90","","90","","120","","385.2","0.3","295","2","295","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Ag Cl H12 N4 O4 -","- Ag Cl H10.41 N3.47 O3.96 -","- Ag2 Cl2 H20.82 N6.94 O7.92 -","2","0.166667","","Nilsson, Kersti B.; Persson, Ingmar; Kessler, Vadim G.","Coordination Chemistry of the Solvated AgIand AuIIons in Liquid and Aqueous Ammonia, Trialkyl and Triphenyl Phosphite, and Tri-n-butylphosphine Solutions","Inorganic Chemistry","2006","45","17","6912","6921","10.1021/ic060175v","","","0.71073","MoKα","","0.0504","0.0363","","","0.092","0.0964","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333167","11.7151","0.0015","11.7151","0.0015","14.239","0.003","90","","90","","120","","1692.4","0.5","150","1","150","1","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C12 H8 B2 K N12 Na S12 -","- C12 H8 B2 K0.99 N12 Na S12 -","- C24 H16 B4 K1.98 N24 Na2 S24 -","2","0.166667","","Silva, Rosalice M.; Gwengo, Chengeto; Lindeman, Sergey V.; Smith, Mark D.; Gardinier, James R.","Janus Scorpionates: Supramolecular Tectons for the Directed Assembly of Hard−Soft Alkali Metallopolymer Chains","Inorganic Chemistry","2006","45","26","10998","11007","10.1021/ic0615877","","","0.71073","MoKα","","0.0572","0.0343","","","0.0643","0.0693","","","","","","0.946","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4334016","12.5734","0.0002","12.5734","0.0002","38.3973","0.001","90","","90","","120","","5256.99","0.18","173.15","","173.15","","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C72 H168 Ce2 Mn2 N6 O20 P12 -","- C72 H168 Ce2 Mn2 N6 O20 P12 -","- C144 H336 Ce4 Mn4 N12 O40 P24 -","2","0.166667","","Guo-Cang Wang; Herman H. Y. Sung; Feng-Rong Dai; Wai-Hang Chiu; Wai-Yeung Wong; Ian D. Williams; Wa-Hung Leung","Heterometallic Cerium(IV) Perrhenate, Permanganate, and Molybdate Complexes Supported by the Imidodiphosphinate Ligand [N(i-Pr2PO)2]-","Inorganic Chemistry","2013","52","","2556","2563","10.1021/ic302567e","","x-ray","0.7107","MoKα","","0.0355","0.0324","","","0.0982","0.1009","","","","","","1.008","","","","has coordinates,has disorder","179443","2020-10-21","18:00:00",""
"4337719","11.9905","0.0005","11.9905","0.0005","33.8096","0.0014","90","","90","","120","","4209.6","0.3","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C76 H104 Cl4 Hg2 N12 O P12 -","- C76.08 H104.16 Cl4 Hg2 N12 O1.02 P12 -","- C152.16 H208.32 Cl8 Hg4 N24 O2.04 P24 -","2","0.166667","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Panova, Yulia S.; Lukoyanova, Olga V.; Ketkov, Sergey Yu; Baranov, Evgenii V.; Fukin, Georgy K.; Lopatin, Mikhail A.; Budnikova, Yulia G.; Abakumov, Gleb A.","N,N'-fused bisphosphole: heteroaromatic molecule with two-coordinate and formally divalent phosphorus. Synthesis, electronic structure, and chemical properties.","Inorganic chemistry","2014","53","6","3243","3252","10.1021/ic500274h","","","0.71073","MoKα","","0.0585","0.0465","","","0.0851","0.0884","","","","","","1.054","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4339601","8.3176","0.0004","8.3176","0.0004","15.0651","0.0005","90","","90","","120","","902.61","0.07","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C10 H20 Mn2 N2 O12 -","- C10 H6 Mn2 N1.98 O12 -","- C20 H12 Mn4 N3.96 O24 -","2","0.166667","","Wang, Zheming; Zhang, Xueyu; Batten, Stuart R.; Kurmoo, Mohamedally; Gao, Song","[CH3NH2(CH2)2NH2CH3][M2(HCOO)6] (M = MnII and CoII): weak ferromagnetic metal formate frameworks of unique binodal 6-connected (4(12).6(3))(4(9).6(6)) topology, templated by a diammonium cation.","Inorganic chemistry","2007","46","21","8439","8441","10.1021/ic700924j","","","0.71073","MoKα","","0.0557","0.0318","","","0.0818","0.0888","","","","","","0.971","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4339602","8.1805","0.0004","8.1805","0.0004","14.6798","0.0006","90","","90","","120","","850.77","0.07","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C10 H20 Co2 N2 O12 -","- C10 H6 Co2 N1.98 O12 -","- C20 H12 Co4 N3.96 O24 -","2","0.166667","","Wang, Zheming; Zhang, Xueyu; Batten, Stuart R.; Kurmoo, Mohamedally; Gao, Song","[CH3NH2(CH2)2NH2CH3][M2(HCOO)6] (M = MnII and CoII): weak ferromagnetic metal formate frameworks of unique binodal 6-connected (4(12).6(3))(4(9).6(6)) topology, templated by a diammonium cation.","Inorganic chemistry","2007","46","21","8439","8441","10.1021/ic700924j","","","0.71073","MoKα","","0.056","0.0321","","","0.0769","0.0818","","","","","","1.017","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4340581","15.4612","0.0004","15.4612","0.0004","22.1834","0.0007","90","","90","","120","","4592.5","0.2","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C60 H60 Fe2 K4 N30 O12 Zn -","- C60 H60 Fe2 K4.02 N30 O12 Zn -","- C120 H120 Fe4 K8.04 N60 O24 Zn2 -","2","0.166667","","Park, Ka Hyun; Lee, Kang Mun; Go, Min Jeong; Choi, Sung Ho; Park, Hyoung-Ryun; Kim, Youngjo; Lee, Junseong","New Class of Scorpionate: Tris(tetrazolyl)-Iron Complex and Its Different Coordination Modes for Alkali Metal Ions.","Inorganic chemistry","2014","53","16","8213","8220","10.1021/ic5002336","","","0.71073","MoKα","","0.1411","0.0853","","","0.2724","0.3083","","","","","","1.071","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4342763","16.667","0.005","16.667","0.005","14.966","0.004","90","","90","","120","","3600.4","1.8","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C48 H66 Fe2 N6 Ni O13 -","- C48 H66 Fe2.01 N6 Ni0.99 O13 -","- C96 H132 Fe4.02 N12 Ni1.98 O26 -","2","0.166667","","Sotnik, Svetlana A.; Polunin, Ruslan A.; Kiskin, Mikhail A.; Kirillov, Alexander M.; Dorofeeva, Victoria N.; Gavrilenko, Konstantin S.; Eremenko, Igor L.; Novotortsev, Vladimir M.; Kolotilov, Sergey V.","Heterometallic Coordination Polymers Assembled from Trigonal Trinuclear Fe2Ni-Pivalate Blocks and Polypyridine Spacers: Topological Diversity, Sorption, and Catalytic Properties.","Inorganic chemistry","2015","54","11","5169","5181","10.1021/ic503061z","","","0.71073","MoKα","","0.1183","0.0752","","","0.2301","0.2651","","","","","","1.206","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344283","9.6404","","9.6404","","18.332","","90","","90","","120","","1475.47","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Cs La Zr6 Cl18 Fe","","- Cl18 Cs Fe La Zr6 -","- Cl18 Cs Fe La Zr6 -","- Cl36 Cs2 Fe2 La2 Zr12 -","2","0.166667","","Zhang, J.; Corbett, J.D.","Two families of centered zirconium cluster phases with M1,2 M' Cl6 * Zr6 Cl12 Z compositions","Inorganic Chemistry","1993","32","","1556","1572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344438","13.4661","0.0003","13.4661","0.0003","22.3796","0.0008","90","","90","","120","","3514.52","0.17","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H84 Mn N6 O16 U2 -","- C72 H84 Mn N6 O16 U2 -","- C144 H168 Mn2 N12 O32 U4 -","2","0.166667","","Thuéry, Pierre; Harrowfield, Jack","A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of Aliphatic α,ω-Dicarboxylates.","Inorganic chemistry","2015","54","22","10539","10541","10.1021/acs.inorgchem.5b02348","","","0.71073","MoKα","","0.0454","0.0374","","","0.0989","0.1036","","","","","","1.077","","","","has coordinates","170792","2020-10-21","18:00:00",""
"4344439","13.4057","0.0003","13.4057","0.0003","22.2777","0.0009","90","","90","","120","","3467.21","0.18","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H84 Co N6 O16 U2 -","- C72 H84 Co N6 O16 U2 -","- C144 H168 Co2 N12 O32 U4 -","2","0.166667","","Thuéry, Pierre; Harrowfield, Jack","A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of Aliphatic α,ω-Dicarboxylates.","Inorganic chemistry","2015","54","22","10539","10541","10.1021/acs.inorgchem.5b02348","","","0.71073","MoKα","","0.0503","0.0408","","","0.1044","0.1096","","","","","","1.092","","","","has coordinates","170792","2020-10-21","18:00:00",""
"4345098","8.2755","0.0001","8.2755","0.0001","13.8942","0.0002","90","","90","","120","","824.048","0.018","55","2","55","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0285","0.0262","","","0.071","0.0793","","","","","","1.229","","","","has coordinates","191245","2020-10-21","18:00:00",""
"4345099","8.2127","0.0001","8.2127","0.0001","13.6789","0.0002","90","","90","","120","","799.013","0.018","75","2","75","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0328","0.0321","","","0.1055","0.1067","","","","","","1.181","","","","has coordinates","191246","2020-10-21","18:00:00",""
"4345100","8.2674","0.0001","8.2674","0.0001","13.8761","0.0002","90","","90","","120","","821.365","0.018","105","2","105","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.055","0.0504","","","0.1502","0.1595","","","","","","1.133","","","","has coordinates","191248","2020-10-21","18:00:00",""
"4345101","8.2744","0.0001","8.2744","0.0001","13.8904","0.0002","90","","90","","120","","823.604","0.018","75","2","75","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0387","0.0354","","","0.1014","0.1148","","","","","","1.186","","","","has coordinates","191249","2020-10-21","18:00:00",""
"4345102","8.2184","0.0001","8.2184","0.0001","13.6756","0.0002","90","","90","","120","","799.929","0.018","30","2","30","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0241","0.0238","","","0.0614","0.0616","","","","","","1.078","","","","has coordinates","191250","2020-10-21","18:00:00",""
"4345103","8.2163","0.0001","8.2163","0.0001","13.6768","0.0002","90","","90","","120","","799.591","0.018","45","2","45","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0249","0.0245","","","0.0641","0.0644","","","","","","1.097","","","","has coordinates","191251","2020-10-21","18:00:00",""
"4345104","8.2136","0.0001","8.2136","0.0001","13.6935","0.0002","90","","90","","120","","800.041","0.018","95","2","95","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0447","0.0431","","","0.1371","0.1467","","","","","","1.23","","","","has coordinates","191252","2020-10-21","18:00:00",""
"4345105","8.2158","0.0001","8.2158","0.0001","13.6791","0.0002","90","","90","","120","","799.628","0.018","55","2","55","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0259","0.0256","","","0.0684","0.0686","","","","","","1.117","","","","has coordinates","191253","2020-10-21","18:00:00",""
"4345106","8.2726","0.0002","8.2726","0.0002","13.8886","0.0003","90","","90","","120","","823.14","0.03","85","2","85","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0439","0.0397","","","0.1143","0.1275","","","","","","1.184","","","","has coordinates","191254","2020-10-21","18:00:00",""
"4345107","8.2132","0.0001","8.2132","0.0001","13.6863","0.0002","90","","90","","120","","799.542","0.018","85","2","85","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0402","0.0394","","","0.1243","0.1256","","","","","","1.143","","","","has coordinates","191255","2020-10-21","18:00:00",""
"4345108","8.2165","0.0001","8.2165","0.0001","13.6791","0.0002","90","","90","","120","","799.764","0.018","65","2","65","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0301","0.0295","","","0.0996","0.1","","","","","","1.227","","","","has coordinates","191256","2020-10-21","18:00:00",""
"4345109","8.2722","0.0002","8.2722","0.0002","13.8867","0.0003","90","","90","","120","","822.95","0.03","95","2","95","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0472","0.0433","","","0.1223","0.1276","","","","","","1.143","","","","has coordinates","191257","2020-10-21","18:00:00",""
"4345110","8.2761","0.0001","8.2761","0.0001","13.8917","0.0002","90","","90","","120","","824.019","0.018","65","2","65","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0327","0.0305","","","0.0876","0.0947","","","","","","1.222","","","","has coordinates","191258","2020-10-21","18:00:00",""
"4345111","8.2762","0.0001","8.2762","0.0001","13.8975","0.0002","90","","90","","120","","824.383","0.018","45","2","45","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0261","0.0246","","","0.0703","0.0761","","","","","","1.219","","","","has coordinates","191259","2020-10-21","18:00:00",""
"4345112","8.2777","0.0001","8.2777","0.0001","13.8953","0.0002","90","","90","","120","","824.552","0.018","30","2","30","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0257","0.0242","","","0.0681","0.0746","","","","","","1.252","","","","has coordinates","191260","2020-10-21","18:00:00",""
"4345113","8.2114","0.0001","8.2114","0.0001","13.6951","0.0003","90","","90","","120","","799.71","0.02","105","2","105","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0462","0.0432","","","0.1389","0.16","","","","","","1.228","","","","has coordinates","191261","2020-10-21","18:00:00",""
"4345523","9.2374","0.0001","9.2374","0.0001","16.3302","0.0001","90","","90","","120","","1206.76","0.02","293","2","293","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- Hg2.83 K Mo12 S14 -","- Hg2.824 K Mo12 S14 -","- Hg5.648 K2 Mo24 S28 -","2","0.166667","","Gougeon, Patrick; Gall, Philippe","Synthesis, Structure, and Electrical Properties of the Mo12 Cluster Sulfide Hg∼2.8KMo12S14 Containing Mercury Chains.","Inorganic chemistry","2017","56","6","3440","3446","10.1021/acs.inorgchem.6b02866","","","0.71073","MoKα","","0.0285","0.0253","","","0.056","0.0568","","","","","","1.268","","","","has coordinates","194821","2020-10-21","18:00:00",""
"4346148","15.0044","0.0011","15.0044","0.0011","11.995","0.002","90","","90","","120","","2338.7","0.5","296","2","296","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C30 H54 B2 F8 N6 Ni S6 -","- C30 H54 B2 F8 N6 Ni S6 -","- C60 H108 B4 F16 N12 Ni2 S12 -","2","0.166667","","Mogesa, Benjamin; Perera, Eranda; Rhoda, Hannah M.; Gibson, John K.; Oomens, Jos; Berden, Giel; van Stipdonk, Michael J.; Nemykin, Victor N.; Basu, Partha","Solution, Solid, and Gas Phase Studies on a Nickel Dithiolene System: Spectator Metal and Reactor Ligand.","Inorganic chemistry","2015","54","16","7703","7716","10.1021/acs.inorgchem.5b00531","","","0.71073","MoKα","","0.0877","0.064","","","0.2201","0.2364","","","","","","1.591","","","","has coordinates","231631","2020-10-21","18:00:00",""
"4348346","18.196","0.005","18.196","0.005","15.127","0.005","90","","90","","120","","4337","2","180","2","180","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H64 Cd5 Cl10 N6 O20 -","- C72 H48 Cd5 Cl10 N6 O15 -","- C144 H96 Cd10 Cl20 N12 O30 -","2","0.166667","","Leroux, Maxime; Mercier, Nicolas; Allain, Magali; Dul, Marie-Claire; Dittmer, Jens; Kassiba, Abdel Hadi; Bellat, Jean-Pierre; Weber, Guy; Bezverkhyy, Igor","Porous Coordination Polymer Based on Bipyridinium Carboxylate Linkers with High and Reversible Ammonia Uptake.","Inorganic chemistry","2016","55","17","8587","8594","10.1021/acs.inorgchem.6b01119","","","1.54184","CuKα","","0.0439","0.0391","","","0.0972","0.1022","","","","","","1.089","","","","has coordinates","232883","2020-10-21","18:00:00",""
"4350580","9.7683","0.0004","9.7683","0.0004","25.864","0.002","90","","90","","120","","2137.3","0.2","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C12 H18 Cl Cu0.67 N3.67 O4 -","- C12 H18 Cl Cu0.666667 N3.66667 O4 -","- C72 H108 Cl6 Cu4 N22 O24 -","6","0.5","","Ravikumar, I.; Suresh, E.; Ghosh, Pradyut","A perfect linear Cu-NNN-Cu unit inside the cryptand cavity and perchlorate entrapment within the channel formed by the cascade complex.","Inorganic chemistry","2006","45","25","10046","10048","10.1021/ic061450g","","","0.71073","MoKα","","0.0697","0.0654","","","0.1508","0.1529","","","","","","1.137","","","","has coordinates","239950","2020-10-21","18:00:00",""
"4502529","10.4655","0.0006","10.4655","0.0004","14.02","0.002","90","","90","","120","0.01","1329.8","0.2","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C17 H15.66 N18.67 Na O1.66 Zn -","- C15 H9 N18 Na Zn -","- C30 H18 N36 Na2 Zn2 -","2","0.166667","","Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing","Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate","Crystal Growth & Design","2010","10","7","2908","","10.1021/cg9013398","","","0.71073","MoKα","","0.0399","0.0367","","","0.1146","0.1158","","","","","","1.258","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502530","10.8014","0.0005","10.8014","0.0005","13.6319","0.0012","90","","90","","120","","1377.36","0.15","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H17 Cd N19 Na O1.5 -","- C15 H9 Cd N18 Na -","- C30 H18 Cd2 N36 Na2 -","2","0.166667","","Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing","Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate","Crystal Growth & Design","2010","10","7","2908","","10.1021/cg9013398","","","0.71073","MoKα","","0.057","0.055","","","0.1899","0.1918","","","","","","1.188","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502531","10.64","0.0012","10.64","0.0012","13.795","0.003","90","","90","","120","","1352.5","0.4","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H16 Mn N19 Na O -","- C15 H9 Mn N18 Na -","- C30 H18 Mn2 N36 Na2 -","2","0.166667","","Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing","Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate","Crystal Growth & Design","2010","10","7","2908","","10.1021/cg9013398","","","0.71073","MoKα","","0.0934","0.0874","","","0.2544","0.2609","","","","","","1.172","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502532","10.4089","0.0015","10.4089","0.0015","14.028","0.003","90","","90","","120","","1316.2","0.4","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H16 Co N19 Na O -","- C15 H9 Co N18 Na -","- C30 H18 Co2 N36 Na2 -","2","0.166667","","Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing","Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate","Crystal Growth & Design","2010","10","7","2908","","10.1021/cg9013398","","","0.71073","MoKα","","0.0562","0.0453","","","0.1189","0.1242","","","","","","1.05","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502533","10.3189","0.0006","10.3189","0.0006","14.0839","0.0016","90","","90","","120","","1298.73","0.18","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H17 N19 Na Ni O1.5 -","- C15 H9 N18 Na Ni -","- C30 H18 N36 Na2 Ni2 -","2","0.166667","","Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing","Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate","Crystal Growth & Design","2010","10","7","2908","","10.1021/cg9013398","","","0.71073","MoKα","","0.0376","0.0348","","","0.0916","0.0926","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502885","15.578","0.003","15.578","0.003","16.521","0.003","90","","90","","120","","3472.1","1.1","173","2","173","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C48 H30 O16 Zn3 -","- C48 H30 O16 Zn3 -","- C96 H60 O32 Zn6 -","2","0.166667","","Gao, Qian; Xie, Ya-Bo; Li, Jian-Rong; Yuan, Da-Qiang; Yakovenko, Audrey A.; Sun, Ji-Hong; Zhou, Hong-Cai","Tuning the Formations of Metal‒Organic Frameworks by Modification of Ratio of Reactant, Acidity of Reaction System, and Use of a Secondary Ligand","Crystal Growth & Design","2012","12","1","281","","10.1021/cg201059d","","","0.71073","MoKα","","0.0539","0.0421","","","0.114","0.1195","","","","","","1.063","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4506200","17.031","0.005","17.031","0.005","13.922","0.004","90","","90","","120","","3497.1","1.8","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Co2 N12 O6 -","- C63 H39 Cl Co2 N12 O6 -","- C126 H78 Cl2 Co4 N24 O12 -","2","0.166667","","Agarwal, Rashmi A.; Aijaz, Arshad; Ahmad, Musheer; Sañudo, E. Carolina; Xu, Qiang; Bharadwaj, Parimal K.","Two New Coordination Polymers with Co(II) and Mn(II): Selective Gas Adsorption and Magnetic Studies","Crystal Growth & Design","2012","12","6","2999","","10.1021/cg300217v","","","0.71073","MoKα","","0.1043","0.073","","","0.1817","0.1957","","","","","","0.949","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4507158","13.0959","0.0019","13.0959","0.0019","13.65","0.003","90","","90","","120","","2027.4","0.6","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C18 H28 Cd5 N36 O -","- C18 H27.99 Cd5 N36 O -","- C36 H55.98 Cd10 N72 O2 -","2","0.166667","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Chen, She-Yu; Su, Chong-Cheng; Chi, Kai-Ming; Lu, Kuang-Lieh","Porous Metal‒Organic Frameworks with Multiple Cages Based on Tetrazolate Ligands: Synthesis, Structures, Photoluminescence, and Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","510","","10.1021/cg3009249","","","0.71073","MoKα","","0.1272","0.0953","","","0.277","0.2961","","","","","","1.086","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507488","16.5254","0.0003","16.5254","0.0003","14.0982","0.0006","90","","90","","120","","3334.25","0.17","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C48 H24 N6 O23 Zn3 -","- C48 H24 N6 O20 Zn3 -","- C96 H48 N12 O40 Zn6 -","2","0.166667","","Han, Liqin; Yan, Yan; Sun, Fuxing; Cai, Kun; Borjigin, Tsolmon; Zhao, Xiaojun; Qu, Fengyu; Zhu, Guangshan","Single- and Double-Layer Structures and Sorption Properties of Two Microporous Metal‒Organic Frameworks with Flexible Tritopic Ligand","Crystal Growth & Design","2013","13","4","1458","","10.1021/cg301559s","","","0.71073","MoKα","","0.0352","0.0287","","","0.0764","0.08","","","","","","0.779","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507515","16.954","0.005","16.954","0.005","13.846","0.005","90","0.005","90","0.005","120","0.005","3446.7","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl N12 Ni2 O6 -","- C63 H39 Cl N12 Ni2 O6 -","- C126 H78 Cl2 N24 Ni4 O12 -","2","0.166667","","Agarwal, Rashmi A.; Aijaz, Arshad; Sañudo, Carolina; Xu, Qiang; Bharadwaj, Parimal K.","Gas Adsorption and Magnetic Properties in Isostructural Ni(II), Mn(II), and Co(II) Coordination Polymers","Crystal Growth & Design","2013","13","3","1238","","10.1021/cg3016904","","","0.71073","MoKα","","0.0762","0.0587","","","0.1745","0.1921","","","","","","1.109","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507516","17.275","0.005","17.275","0.003","14.107","0.005","90","0.005","90","0.005","120","0.005","3645.9","1.8","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Mn2 N12 O6 -","- C63 H39 Cl Mn2 N12 O6 -","- C126 H78 Cl2 Mn4 N24 O12 -","2","0.166667","","Agarwal, Rashmi A.; Aijaz, Arshad; Sañudo, Carolina; Xu, Qiang; Bharadwaj, Parimal K.","Gas Adsorption and Magnetic Properties in Isostructural Ni(II), Mn(II), and Co(II) Coordination Polymers","Crystal Growth & Design","2013","13","3","1238","","10.1021/cg3016904","","","0.71073","MoKα","","0.0898","0.0535","","","0.12","0.1297","","","","","","0.835","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4508053","16.6972","0.0019","16.6972","0.0019","14.3042","0.0018","90","","90","","120","","3453.7","0.7","200","2","200","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C12 H8.58 O3.33 Zn0.5 -","- C12 H5 O3.33333 Zn0.5 -","- C144 H60 O40 Zn6 -","12","1","","Chaudhari, Abhijeet K.; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.","A Continuous π-Stacked Starfish Array of Two-Dimensional Luminescent MOF for Detection of Nitro Explosives","Crystal Growth & Design","2013","13","8","3716","","10.1021/cg400749m","","","0.71073","MoKα","","0.0957","0.0812","","","0.2488","0.2616","","","","","","1.259","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508054","16.6972","0.0019","16.6972","0.0019","14.3042","0.0018","90","","90","","120","","3453.7","0.7","200","2","200","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C9 H5.67 O3.33 Zn0.5 -","- C9 H5 O3.33333 Zn0.5 -","- C108 H60 O40 Zn6 -","12","1","","Chaudhari, Abhijeet K.; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.","A Continuous π-Stacked Starfish Array of Two-Dimensional Luminescent MOF for Detection of Nitro Explosives","Crystal Growth & Design","2013","13","8","3716","","10.1021/cg400749m","","","0.71073","MoKα","","0.0527","0.0424","","","0.1312","0.142","","","","","","0.666","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508224","15.772","0.002","15.772","0.002","16.2","0.003","90","","90","","120","","3489.9","0.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C33 H33 Co2 N3 O19 Ti -","- C33 H24 Co2.01 N3 O19 Ti0.99 -","- C66 H48 Co4.02 N6 O38 Ti1.98 -","2","0.166667","","Hong, Keunil; Bak, Woojeong; Moon, Dohyun; Chun, Hyungphil","Bistable and Porous Metal‒Organic Frameworks with Charge-NeutralacsNet Based on Heterometallic M3O(CO2)6Building Blocks","Crystal Growth & Design","2013","13","9","4066","","10.1021/cg4009009","","","0.62001","Synchrotron","","0.098","0.097","","","0.2896","0.2901","","","","","","1.129","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4510167","18.248","0.002","18.248","0.002","47.113","0.007","90","","90","","120","","13586","3","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C24 H26 B18 Co Cu2 O10 -","- C24 H26 B18 Co Cu2 O10 -","- C144 H156 B108 Co6 Cu12 O60 -","6","0.5","","Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Metallacarborane-Based Metal‒Organic Framework with a Complex Topology","Crystal Growth & Design","2014","14","3","1324","","10.1021/cg401817g","","","1.54178","CuKα","","0.2107","0.1544","","","0.4582","0.4944","","","","","","1.778","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4511740","18.6108","0.0007","18.6108","0.0007","19.3734","0.0007","90","","90","","120","","5811.2","0.4","150","2","150","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C86 H101 Li11 O58 -","- C66 H48 Li11 O48.02 -","- C132 H96 Li22 O96.04 -","2","0.166667","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.0929","0.083","","","0.2617","0.2724","","","","","","1.09","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4512038","16.774","0.005","16.774","0.005","13.913","0.005","90","0.005","90","0.005","120","0.005","3390.2","1.9","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C63 H39 B F4 N12 Ni2 O6 -","- C63 H39 B0.99 F3.96 N12 Ni2 O6 -","- C126 H78 B1.98 F7.92 N24 Ni4 O12 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.1131","0.1014","","","0.2991","0.3167","","","","","","1.357","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512039","16.802","0.005","16.802","0.005","13.96","0.005","90","0.005","90","0.005","120","0.005","3413","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl N12 Ni2 O10 -","- C63 H39 Cl0.99 N12 Ni2 O9.96 -","- C126 H78 Cl1.98 N24 Ni4 O19.92 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71069","MoKα","","0.0616","0.0534","","","0.1449","0.1524","","","","","","1.095","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512040","16.87","0.005","16.87","0.005","13.886","0.005","90","0.005","90","0.005","120","0.005","3422.5","1.9","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C63 H39 N13 Ni2 O9 -","- C63 H39 N13 Ni2 O9 -","- C126 H78 N26 Ni4 O18 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.0791","0.0701","","","0.2062","0.2148","","","","","","1.092","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512041","16.946","0.005","16.946","0.005","13.838","0.005","90","0.005","90","0.005","120","0.005","3441.4","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl N12 Ni2 O6 -","- C63 H39 Cl N12 Ni2 O6 -","- C126 H78 Cl2 N24 Ni4 O12 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.05","0.0408","","","0.1029","0.1086","","","","","","1.101","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512042","16.901","0.005","16.901","0.005","14.082","0.005","90","0.005","90","0.005","120","0.005","3483.5","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Co2 N12 O10 -","- C63 H39 Cl0.99 Co2 N12 O9.96 -","- C126 H78 Cl1.98 Co4 N24 O19.92 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.132","0.0874","","","0.1814","0.2035","","","","","","1.112","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512043","17.03","0.005","17.03","0.005","13.908","0.005","90","0.005","90","0.005","120","0.005","3493.2","1.9","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Co2 N13 O9 -","- C63 H39 Co2 N13 O9 -","- C126 H78 Co4 N26 O18 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.096","0.0752","","","0.2278","0.2448","","","","","","1.096","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512044","17.088","0.005","17.088","0.005","13.892","0.005","90","0.005","90","0.005","120","0.005","3513","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Co2 N12 O6 -","- C63 H39 Cl Co2 N12 O6 -","- C126 H78 Cl2 Co4 N24 O12 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.0669","0.0547","","","0.1348","0.1413","","","","","","1.093","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512046","16.975","0.005","16.975","0.005","13.917","0.005","90","0.005","90","0.005","120","0.005","3472.9","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H57 Cl Co2 N12 O16 -","- C72 H57 Cl Co2 N12 O16 -","- C144 H114 Cl2 Co4 N24 O32 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.0835","0.074","","","0.2227","0.2298","","","","","","1.166","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512220","17.107","0.005","17.107","0.005","14.133","0.005","90","0.005","90","0.005","120","0.005","3582","2","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Mn2 N12 O10 -","- C63 H39 Cl0.99 Mn2 N12 O9.96 -","- C126 H78 Cl1.98 Mn4 N24 O19.92 -","2","0.166667","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.1095","0.0897","","","0.2368","0.2519","","","","","","1.078","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512221","17.246","0.005","17.246","0.005","14.135","0.005","90","0.005","90","0.005","120","0.005","3641","2","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Mn2 N12 O6 -","- C63 H39 Cl Mn2 N12 O6 -","- C126 H78 Cl2 Mn4 N24 O12 -","2","0.166667","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.1791","0.1038","","","0.2486","0.2827","","","","","","1.065","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512222","17.485","0.005","17.485","0.005","14.019","0.005","90","0.005","90","0.005","120","0.005","3712","2","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Mn2 N13 O9 -","- C63 H39 Mn2 N13 O9 -","- C126 H78 Mn4 N26 O18 -","2","0.166667","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.0985","0.0597","","","0.1316","0.1466","","","","","","1.098","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512223","17.203","0.005","17.203","0.005","14.045","0.005","90","0.005","90","0.005","120","0.005","3600","2","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C72 H57 Mn2 N13 O15 -","- C72 H57 Mn2 N13 O15 -","- C144 H114 Mn4 N26 O30 -","2","0.166667","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.106","0.0669","","","0.1608","0.1815","","","","","","1.068","","","","has coordinates","288644","2024-01-03","14:50:32",""
"7000436","16.702","0.006","16.702","0.006","21.008","0.011","90","","90","","120","","5075","4","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C40 H116 Mn15 N0 O78 P4 -","- C40 H81.96 Mn15 O78 P4 -","- C80 H163.92 Mn30 O156 P8 -","2","0.166667","","Wang, Mei; Ma, Chengbing; Wen, Huimin; Chen, Changneng","Synthesis and characterization of a series of manganese phosphonate complexes with various valences and nuclearity","Dalton Transactions","2009","","6","994","1003","10.1039/b814794a","","","0.71073","MoKα","","","0.0725","","","0.1882","0.1915","","","","","","1.159","","","","has coordinates","179682","2020-10-21","18:00:00",""
"7006333","15.9031","0.0002","15.9031","0.0002","23.5014","0.0004","90","","90","","120","","5147.4","0.13","173","2","173","2","","","","","","","synthesis as described","4","P -3 1 c","-P 3 2c","163","((NaC(Ph)(adamantane))6).2(C6H6)","","","- C114 H132 N6 Na6 -","- C114 H132 N6 Na6 -","- C228 H264 N12 Na12 -","2","0.166667","","Avent, Anthony G.; Antolini, Floria; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.","Reactions between a sodium amide Na[N(SiMe3)R1] (R1 = SiMe3, SiMe2Ph or But) and a cyanoalkane RCN (R = Ad or Bu(t)).","Dalton transactions (Cambridge, England : 2003)","2006","","7","919","927","10.1039/b506753g","","x-ray","0.71073","MoKα","","0.0881","0.0791","","","0.2514","0.2604","","","","","","1.152","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7010778","22.7815","0.0003","22.7815","0.0003","28.0363","0.0004","90","","90","","120","","12601.3","0.3","133","2","133","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C113 H228 O36.5 P21 Pd59 -","- C112.742 H228 O36.242 P21 Pd59.258 -","- C225.484 H456 O72.484 P42 Pd118.516 -","2","0.166667","","Tran, Nguyet T.; Kawano, Masaki; Dahl, Lawrence F.","High-nuclearity palladium carbonyl trimethylphosphine clusters containing unprecedented face-condensed icosahedral-based transition-metal core geometries: proposed growth patterns from a centered Pd13 icosahedron†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2731","","10.1039/b103547a","","","0.71073","MoKα","","0.1187","0.0546","","","0.1207","0.1455","","","","","","0.978","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7011812","18.0237","0.0011","18.0237","0.0011","21.1181","0.0019","90","","90","","120","","5941.2","0.7","100","1","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C36 H180 Ni9 O S18 -","- C108 H90 Ni9 O4.88 S18 -","- C216 H180 Ni18 O9.76 S36 -","2","0.166667","","Ivanov, Sergei A.; Kozee, Michael A.; Alex Merrill, W.; Agarwal, Sorabh; Dahl, Lawrence F.","Cyclo-[Ni(μ~2~-SPh)~2~]~9~ and cyclo-[Ni(μ~2~-SPh)~2~]~11~: new oligomeric types of toroidal nickel(ii) thiolates containing geometrically unprecedented 9- and 11-membered ring systems","Journal of the Chemical Society, Dalton Transactions","2002","","22","4105","4115","10.1039/b204273h","","","0.71073","MoKα","","0.0612","0.0378","","","0.1043","0.1274","","","","","","0.973","","","","has coordinates,has disorder","179822","2020-10-21","18:00:00",""
"7014096","11.46","0.002","11.46","0.002","44.773","0.009","90","","90","","120","","5092.3","1.6","150","2","150","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C39 H51 B Co F9 N6.5 P2.5 S3 -","- C39 H49 B Co N6 P S3 -","- C156 H196 B4 Co4 N24 P4 S12 -","4","0.333333","","Mihalcik, David J.; White, Jennifer L.; Tanski, Joseph M.; Zakharov, Lev N.; Yap, Glenn P. A.; Incarvito, Christopher D.; Rheingold, Arnold L.; Rabinovich, Daniel","Cobalt tris(mercaptoimidazolyl)borate complexes: synthetic studies and the structure of the first cobaltaboratrane.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1626","1634","10.1039/b401056f","","","0.71073","MoKα","","0.1071","0.0992","","","0.2691","0.2735","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015324","28.4916","0.0008","28.4916","0.0008","30.0145","0.0015","90","","90","","120","","21100.6","1.3","153","2","153","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C31 H73.5 N16 Ni5.25 O39 -","- C28 H30 N16 Ni5.25 O27.5 -","- C336 H360 N192 Ni63 O330 -","12","1","","Tandon, Santokh S.; Dul, Marie-Claire; Lee, John L.; Dawe, Louise N.; Anwar, Muhammad U.; Thompson, Laurence K.","Complexes of ditopic carbo- and thio-carbohydrazone ligands‒mononuclear, 1D chain, dinuclear and tetranuclear examples.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3466","3475","10.1039/c0dt01487g","","","0.71075","MoKα","","0.0747","0.0675","","","0.1735","0.1797","","","","","","1.115","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015399","13.499","0.002","13.499","0.002","18.54","0.003","90","","90","","120","","2925.8","0.8","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C48 H58 N14 O20 Zn -","- C48 H54 N14 O20.03 Zn -","- C96 H108 N28 O40.06 Zn2 -","2","0.166667","","Wu, Biao; Yang, Jin; Huang, Xiaojuan; Li, Shaoguang; Jia, Chuandong; Yang, Xiao-Juan; Tang, Ning; Janiak, Christoph","Anion binding by metallo-receptors of 5,5'-dicarbamate-2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5687","5696","10.1039/c0dt01561j","","","0.71073","MoKα","","0.1098","0.076","","","0.2226","0.2847","","","","","","1.078","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7019901","19.7989","0.0006","19.7989","0.0006","17.4799","0.0008","90","","90","","120","","5934.1","0.4","113","2","113","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C42 H30 Cu6 N24 S6 -","- C42 H30 Cu6 N24 S6 -","- C84 H60 Cu12 N48 S12 -","2","0.166667","","Shan, Xiao-Chen; Jiang, Fei-Long; Yuan, Da-Qiang; Wu, Ming-Yan; Zhang, Shu-Quan; Hong, Mao-Chun","The unusual thermochromic NIR luminescence of Cu(i) clusters: tuned by Cu-Cu interactions and packing modes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9411","9416","10.1039/c2dt30909b","","","0.71073","MoKα","","0.045","0.0382","","","0.1152","0.1214","","","","","","1.091","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7020487","12.7647","0.0013","12.7647","0.0013","16.2308","0.0017","90","","90","","120","","2290.3","0.4","130","2","130","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C7 H9 Cl0.33 N O1.5 Ru0.17 -","- C5 H4 Cl0.333333 N O Ru0.166667 -","- C60 H48 Cl4 N12 O12 Ru2 -","12","1","","Fuentes, Michelle J.; Bognanno, Richard J.; Dougherty, William G.; Boyko, Walter J.; Kassel, W. Scott; Dudley, Timothy J.; Paul, Jared J.","Structural, electronic and acid/base properties of [Ru(bpy(OH)2)3]2+ (bpy(OH)2 = 4,4'-dihydroxy-2,2'-bipyridine).","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12514","12523","10.1039/c2dt31706k","","","0.71073","MoKα","","0.0644","0.048","","","0.1386","0.1451","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021526","16.7421","0.0002","16.7421","0.0002","14.3737","0.0003","90","","90","","120","","3489.15","0.09","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C54 H34 N0 O20 Zn3 -","- C54 H30 O20 Zn3 -","- C108 H60 O40 Zn6 -","2","0.166667","","Phang, Won Ju; Lee, Woo Ram; Yoo, Kicheon; Kim, Bongsoo; Hong, Chang Seop","Selective CO2 adsorption and proton conductivity in the two-dimensional Zn(ii) framework with protruded water molecules and flexible ether linkers.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7850","7853","10.1039/c3dt50896j","","","0.71073","MoKα","","0.1284","0.0638","","","0.1722","0.1873","","","","","","1.06","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021698","16.97","0.0005","16.97","0.0005","17.6573","0.0006","90","","90","","120","","4403.7","0.2","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C87 H72 Cl3 Cu3 N12 O12 -","- C87 H72 Cl2.98 Cu3 N12 O11.94 -","- C174 H144 Cl5.96 Cu6 N24 O23.88 -","2","0.166667","","Lemus, Luis; Guerrero, Juan; Costamagna, Juan; Lorca, Romina; Jara, Danilo H.; Ferraudi, Guillermo; Oliver, Allen; Lappin, A. Graham","Resolution and characterization of helicate dimer and trimer complexes of 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane with copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11426","11435","10.1039/c3dt50971k","","","0.7749","synchrotron","","0.0716","0.0646","","","0.2195","0.2302","","","","","","1.064","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021898","11.8739","0.0015","11.8739","0.0015","25.494","0.005","90","","90","","120","","3112.8","0.8","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C6 H5 N4 O2 Zn -","- C6 H5 N4 O2 Zn -","- C72 H60 N48 O24 Zn12 -","12","1","","Luo, Ming-Biao; Yuan, Zi-Zun; Xu, Wen-Yuan; Luo, Feng; Li, Jian-Qiang; Zhu, Yan; Feng, Xue-Feng; Liu, Shu-Juan","Framework isomers controlled by the speed of crystallization: different aggregation fashions of Zn(ii) and 1,2,4-triazol-3-amine, distinct (3,4)-connected self-penetrating nets, and various pore shapes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13802","13805","10.1039/c3dt51454d","","","0.71073","MoKα","","0.0999","0.0827","","","0.186","0.1977","","","","","","1.087","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7023767","13.1216","0.0003","13.1216","0.0003","13.5926","0.0002","90","","90","","120","","2026.78","0.07","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H26 B2 N18 Na2 S6 -","- C18 H26 B2 N18 Na2 S6 -","- C36 H52 B4 N36 Na4 S12 -","2","0.166667","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","The versatile behaviour of a novel Janus scorpionate ligand towards sodium, potassium and bismuth(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15785","15795","10.1039/c3dt52030g","","","0.71073","MoKα","","0.0519","0.0417","","","0.1403","0.1445","","","","","","1.175","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023769","13.0298","0.0007","13.0298","0.0007","14.0697","0.0009","90","","90","","120","","2068.7","0.2","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C18 H26 B2 K N18 Na S6 -","- C18 H26 B2 K N18 Na S6 -","- C36 H52 B4 K2 N36 Na2 S12 -","2","0.166667","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","The versatile behaviour of a novel Janus scorpionate ligand towards sodium, potassium and bismuth(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15785","15795","10.1039/c3dt52030g","","","0.71073","MoKα","","0.0704","0.0658","","","0.154","0.1562","","","","","","1.174","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7025397","18.9538","0.0016","18.9538","0.0016","9.2975","0.0009","90","","90","","120","","2892.6","0.4","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C42 H52 Cl Fe3 N12 O21 -","- C42 H24 Cl0.99 Fe3 N12 O7 -","- C84 H48 Cl1.98 Fe6 N24 O14 -","2","0.166667","","Miao, Yan-Li; Liu, Jun-Liang; Lin, Zhuo-Jia; Ou, Yong-Cong; Leng, Ji-Dong; Tong, Ming-Liang","Synthesis, structures, adsorption behaviour and magnetic properties of a new family of polynuclear iron clusters.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4893","4902","10.1039/c000126k","","","1.54178","CuKα","","0.0663","0.0518","","","0.1477","0.1525","","","","","","1.037","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025398","19.104","0.003","19.104","0.003","9.4409","0.0019","90","","90","","120","","2984","0.9","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C42 H52 Br Fe3 N12 O21 -","- C42 H24 Br0.99 Fe3 N12 O7 -","- C84 H48 Br1.98 Fe6 N24 O14 -","2","0.166667","","Miao, Yan-Li; Liu, Jun-Liang; Lin, Zhuo-Jia; Ou, Yong-Cong; Leng, Ji-Dong; Tong, Ming-Liang","Synthesis, structures, adsorption behaviour and magnetic properties of a new family of polynuclear iron clusters.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4893","4902","10.1039/c000126k","","","0.71073","MoKα","","0.0594","0.0486","","","0.137","0.1448","","","","","","1.109","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7028538","7.3932","0.0008","7.3932","0.0008","17.641","0.003","90","","90","","120","","835.06","0.19","293","2","293","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C2 H2 Ag Br0 K N2 O -","- C2 H Ag K N2 O -","- C12 H6 Ag6 K6 N12 O6 -","6","0.5","","Liu, Xi; Li, Lin; Yang, Yun-Zhi; Huang, Kun-Lin","Doping potassium ions in silver cyanide complexes for green luminescence.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4086","4092","10.1039/c3dt53219d","","","0.71073","MoKα","","0.0585","0.0465","","","0.1268","0.1359","","","","","","1.002","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7029146","16.6504","0.0016","16.6504","0.0016","14.521","0.003","90","","90","","120","","3486.4","0.9","293","2","293","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C54 H30 O26 Zn3 -","- C54 H30 O26 Zn3 -","- C108 H60 O52 Zn6 -","2","0.166667","","He, Hongming; Sun, Fuxing; Borjigin, Tsolmon; Zhao, Nian; Zhu, Guangshan","Tunable colors and white-light emission based on a microporous luminescent Zn(ii)-MOF.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3716","3721","10.1039/c3dt53013b","","","0.71073","MoKα","","0.0792","0.0658","","","0.2014","0.2227","","","","","","1.101","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7033239","12.3275","0.0003","12.3275","0.0003","12.5415","0.0007","90","","90","","120","","1650.56","0.11","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C3 H4.33 Cl0.33 Cu1.67 N12 O1.33 -","- C3 H3 Cl0.33 Cu1.66667 N12 O1.33733 -","- C18 H18 Cl1.98 Cu10 N72 O8.024 -","6","0.5","","Hou, Zhao-Jun; Liu, Zhong-Yi; Liu, Ning; Yang, En-Cui; Zhao, Xiao-Jun","Four tetrazolate-based 3D frameworks with diverse subunits directed by inorganic anions and azido coligand: hydro/solvothermal syntheses, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2223","2233","10.1039/c4dt03172e","","","0.71073","MoKα","","0.0651","0.0575","","","0.1247","0.129","","","","","","1.166","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033911","15.5076","0.0011","15.5076","0.0011","18.534","0.0015","90","","90","","120","","3860","0.5","296","2","296","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C42 H85 Cu8 F6 N6 P Se12 -","- C42 H85 Cu8 F6 N6 P Se12 -","- C84 H170 Cu16 F12 N12 P2 Se24 -","2","0.166667","","Dhayal, Rajendra S.; Liao, Jian-Hong; Hou, Hsing-Nan; Ervilita, Ria; Liao, Ping-Kuei; Liu, C. W.","Copper(i) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5898","5908","10.1039/c4dt03810j","","","0.71073","MoKα","","0.076","0.0468","","","0.1243","0.1424","","","","","","1.067","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7034429","8.2008","0.0002","8.2008","0.0002","13.8667","0.0006","90","","90","","120","","807.64","0.04","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mg N O12 -","- C8 H14.0016 Fe1.001 Mg0.998 N1.0002 O12 -","- C16 H28.0032 Fe2.002 Mg1.996 N2.0004 O24 -","2","0.166667","","Ciupa, Aneta; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Trzmiel, Justyna; Pikul, Adam; Ptak, Maciej","Temperature-dependent studies of [(CH3)2NH2][Fe(III)M(II)(HCOO)6] frameworks (M(II) = Fe and Mg): structural, magnetic, dielectric and phonon properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8846","8854","10.1039/c5dt00512d","","","0.71073","MoKα","","0.0337","0.0271","","","0.0859","0.0887","","","","","","0.95","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034430","8.2067","0.0002","8.2067","0.0002","13.8818","0.0006","90","","90","","120","","809.68","0.04","190","2","190","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mg N O12 -","- C8 H14.0016 Fe1.002 Mg0.998 N1.0002 O12 -","- C16 H28.0032 Fe2.004 Mg1.996 N2.0004 O24 -","2","0.166667","","Ciupa, Aneta; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Trzmiel, Justyna; Pikul, Adam; Ptak, Maciej","Temperature-dependent studies of [(CH3)2NH2][Fe(III)M(II)(HCOO)6] frameworks (M(II) = Fe and Mg): structural, magnetic, dielectric and phonon properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8846","8854","10.1039/c5dt00512d","","","0.71073","MoKα","","0.0303","0.024","","","0.0649","0.0677","","","","","","1.025","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034431","8.2076","0.0002","8.2076","0.0002","13.8988","0.0006","90","","90","","120","","810.85","0.04","298","2","298","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mg N O12 -","- C8 H14.0016 Fe1.002 Mg0.997 N1.0002 O12 -","- C16 H28.0032 Fe2.004 Mg1.994 N2.0004 O24 -","2","0.166667","","Ciupa, Aneta; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Trzmiel, Justyna; Pikul, Adam; Ptak, Maciej","Temperature-dependent studies of [(CH3)2NH2][Fe(III)M(II)(HCOO)6] frameworks (M(II) = Fe and Mg): structural, magnetic, dielectric and phonon properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8846","8854","10.1039/c5dt00512d","","","0.71073","MoKα","","0.0314","0.0236","","","0.0604","0.0618","","","","","","1.19","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7035406","8.1856","0.0007","8.1856","0.0007","13.6517","0.0017","90","","90","","120","","792.17","0.14","298","2","298","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe N Ni O12 -","- C8 H14.0016 Fe1.002 N1.0002 Ni0.997 O12 -","- C16 H28.0032 Fe2.004 N2.0004 Ni1.994 O24 -","2","0.166667","","Ciupa, Aneta; Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Ptak, Maciej","Synthesis and characterization of novel niccolites [(CH3)2NH2][Fe(III)M(II)(HCOO)6] (M(II) = Zn, Ni, Cu).","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13234","13241","10.1039/c5dt01608h","","","0.71073","MoKα","","0.0602","0.0411","","","0.0751","0.0804","","","","","","1.099","","","","has coordinates","153198","2020-10-21","18:00:00",""
"7040588","27.7653","0.0007","27.7653","0.0007","44.8044","0.0017","90","","90","","120","","29912.7","1.6","123","2","123","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C449 H366 Fe27 N73 O147 S18 -","- C449 H366.001 Fe27 N73 O147 S18 -","- C898 H732.001 Fe54 N146 O294 S36 -","2","0.166667","","Das, Biswanath; Lee, Bao-Lin; Karlsson, Erik A.; Åkermark, Torbjörn; Shatskiy, Andrey; Demeshko, Serhiy; Liao, Rong-Zhen; Laine, Tanja M.; Haukka, Matti; Zeglio, Erica; Abdel-Magied, Ahmed F; Siegbahn, Per E. M.; Meyer, Franc; Kärkäs, Markus D; Johnston, Eric V.; Nordlander, Ebbe; Åkermark, Björn","Water oxidation catalyzed by molecular di- and nonanuclear Fe complexes: importance of a proper ligand framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13289","13293","10.1039/c6dt01554a","","","1.54184","CuKα","","0.1546","0.0955","","","0.2665","0.3177","","","","","","0.97","","","","has coordinates,has disorder","186301","2020-10-21","18:00:00",""
"7044949","18.9359","0.0005","18.9359","0.0005","49.4964","0.0014","90","","90","","120","","15370.1","0.7","100.02","0.16","100.02","0.16","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C27 H53 O14 P S Ti3 -","- C27 H48 O14 P S Ti3 -","- C324 H576 O168 P12 S12 Ti36 -","12","1","","Fan, Xi; Narayanam, Nagaraju; Gao, Meiyan; Zhang, Lei; Zhang, Jian","Ligand dependent assembly of trinuclear titanium-oxo units into coordination tetrahedra and capsules.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","663","665","10.1039/c7dt04204c","","","1.54178","CuKα","","0.1187","0.0968","","","0.2842","0.3004","","","","","","1.08","","","","has coordinates,has disorder","230065","2020-10-21","18:00:00",""
"7048858","9.758","0.002","9.758","0.002","26.267","0.009","90","","90","","120","","2166","1","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C36 H54 Cl3 N9 O14 Zn2 -","- C36 H54 Cl3 N9.0002 O14.0006 Zn2 -","- C72 H108 Cl6 N18.0004 O28.0012 Zn4 -","2","0.166667","","Chattopadhyay, Taraknath; B S, Anju; Gupta, Shourya; S, Ananya; Bertke, Jeffery A.; Kundu, Subrata","NO<sub>x</sub><sup>-</sup> anion recognition by bimetallic cryptates: selectivity for nitrite over nitrate.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7085","7089","10.1039/c8dt04971h","","","0.71073","MoKα","","0.1033","0.0961","","","0.2457","0.2518","","","","","","1.224","","","","has coordinates,has disorder","224442","2020-10-21","18:00:00",""
"7048859","9.9795","0.0005","9.9795","0.0005","25.6934","0.0012","90","","90","","120","","2216","0.19","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C36 H54 Cl3 Cu2 N9 O14 -","- C36 H54 Cl3 Cu2 N9.0002 O14.0006 -","- C72 H108 Cl6 Cu4 N18.0004 O28.0012 -","2","0.166667","","Chattopadhyay, Taraknath; B S, Anju; Gupta, Shourya; S, Ananya; Bertke, Jeffery A.; Kundu, Subrata","NO<sub>x</sub><sup>-</sup> anion recognition by bimetallic cryptates: selectivity for nitrite over nitrate.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7085","7089","10.1039/c8dt04971h","","","0.71073","MoKα","","0.0676","0.0558","","","0.1638","0.1748","","","","","","1.158","","","","has coordinates,has disorder","224442","2020-10-21","18:00:00",""
"7049027","20.265","0.005","20.265","0.005","13.335","0.003","90","","90","","120","","4743","2","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C87 H132 K12 N36 O61 Ti12 -","- C87 H120 K12 N36 O61 Ti12 -","- C87 H120 K12 N36 O61 Ti12 -","1","0.0833333","","Passadis, Stamatis S.; Hadjithoma, Sofia; Kalampounias, Angelos G.; Tsipis, Athanassios C.; Sproules, Stephen; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Synthesis, structural and physicochemical characterization of a new type Ti<sub>6</sub>-oxo cluster protected by a cyclic imide dioxime ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5551","5559","10.1039/c9dt00658c","","","0.71073","MoKα","","0.1463","0.0826","","","0.2615","0.3239","","","","","","1.057","","","","has coordinates,has disorder","224101","2020-10-21","18:00:00",""
"7062466","16.4531","0.0006","16.4531","0.0006","20.2962","0.0013","90","","90","","120","","4758.2","0.4","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C36 H63 Cl9 Co8 N36 O22 -","- C36 H63 Cl9 Co8 N36 O22 -","- C72 H126 Cl18 Co16 N72 O44 -","2","0.166667","","Mahmudov, Ibadulla; Gurbanov, Atash V.; Martins, Luísa M. D. R. S.; Abdullayev, Yusif; Sujayev, Afsun; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Co(ii/iii), Ni(ii) and Cu(ii) complexes with a pyrazole-functionalized 1,3,5-triazopentadiene: synthesis, structure and application in the oxidation of styrene to benzaldehyde","New Journal of Chemistry","2023","47","22","10826","10833","10.1039/D3NJ01120H","","","0.71073","MoKα","","0.0904","0.0666","","","0.1677","0.1819","","","","","","1.103","","","","has coordinates,has disorder","284932","2023-07-05","10:30:56",""
"7100879","19.861","0.003","19.861","0.003","17.094","0.004","90","","90","","120","","5839.8","1.7","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C92 H68 Cu6 N18 O2 S7 -","- C92.04 H66.12 Cu6 N18 O2.04 S7.02 -","- C184.08 H132.24 Cu12 N36 O4.08 S14.04 -","2","0.166667","","Duan Chun-Ying; Yan Bai; Dong-Bin Dang; Guang-Jie He; Qing-Jin Meng; Yong-Gang Zhao","Porous Material for Aborption and Luminescent Detection of Aromatic Molecules in Water","Chemical Communications","2006","","","","","10.1039/b517002h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7103227","11.8575","0.0014","11.8575","0.0014","26.003","0.006","90","","90","","120","","3166.3","0.9","243","2","243","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C42 H68 B2 I In N12 S6 -","- C42 H68 B2 I In N12 S6 -","- C84 H136 B4 I2 In2 N24 S12 -","2","0.166667","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G; Parkin, Gerard","Monovalent indium in a sulfur-rich coordination environment: synthesis, structure and reactivity of tris(2-mercapto-1-tert-butylimidazolyl)hydroborato indium, [TmBut]In.","Chemical communications (Cambridge, England)","2008","","28","3305","3307","10.1039/b803037e","","","0.71073","MoKα","","0.067","0.0399","","","0.0964","0.1037","","","","","","1.012","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7103563","12.9326","0.0004","12.9326","0.0004","15.5514","0.001","90","","90","","120","","2252.53","0.18","193","2","193","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C42 H42 I3 In O8 P2 -","- C42 H42 I3 In O8 P2 -","- C84 H84 I6 In2 O16 P4 -","2","0.166667","","Chen, Fu; Ma, Guibin; Cavell, Ronald G; Terskikh, Victor V; Wasylishen, Roderick E","Solid-state (115)In NMR study of indium coordination complexes.","Chemical communications (Cambridge, England)","2008","","45","5933","5935","10.1039/b814326a","","","0.71073","MoKα","","0.025","0.0247","","","0.0667","0.0669","","","","","","1.117","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7104063","14.2685","0.001","14.2685","0.001","26.965","0.002","90","","90","","120","","4754.3","0.6","173","2","173","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C72 H162 Li6 P8 Si6 -","- C72 H162 Li6 P8 Si6 -","- C144 H324 Li12 P16 Si12 -","2","0.166667","","Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","A Novel Type of Phosphide: Synthesis and X-ray Crystal Structure Analysis of (tBu~3~Si)~3~P~4~Li~3~","Chemical Communications (Cambridge, United Kingdom)","2003","","8","990","991","10.1039/b210984k","","","0.71073","MoKα","","0.1021","0.0528","","","0.1119","0.1255","","","","","","0.859","","","","has coordinates","210706","2020-10-21","18:00:00",""
"7104118","19.5542","0.0003","19.5542","0.0003","19.5316","0.0004","90","","90","","120","","6467.68","0.19","113","2","113","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C90 H163 N27 O50 -","- C90 H159.454 N27 O50 -","- C180 H318.908 N54 O100 -","2","0.166667","","Xu, Wen-Zhi; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Molecular encapsulation of a discrete (H2O)32 cluster with S6 symmetry in an organic crystalline supermolecule.","Chemical communications (Cambridge, England)","2008","34","2","171","173","10.1039/b814590c","","","0.7107","MoKα","","0.0593","0.0585","","","0.1514","0.1521","","","","","","1.044","","","","has coordinates,has disorder","180144","2020-10-21","18:00:00",""
"7104603","15.551","0.0003","15.551","0.0003","16.364","0.0005","90","","90","","120","","3427.18","0.14","90","2","90","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","PCN-19","","","- C48 H24 Ni3 O16 -","- C48 H24 Ni3 O16 -","- C96 H48 Ni6 O32 -","2","0.166667","","Ma, Shengqian; Simmons, Jason M; Yuan, Daqiang; Li, Jian-Rong; Weng, Wei; Liu, Di-Jia; Zhou, Hong-Cai","A nanotubular metal-organic framework with permanent porosity: structure analysis and gas sorption studies.","Chemical communications (Cambridge, England)","2009","34","27","4049","4051","10.1039/b906605e","","","0.71073","MoKα","","0.1018","0.0563","","","0.1361","0.147","","","","","","0.902","","","","has coordinates","180149","2020-10-21","18:00:00",""
"7105241","19.444","0.0004","19.444","0.0004","27.9","0.0013","90","","90","","120","","9134.9","0.5","100","","100","","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C180 H182 Au6 Cl4 Fe2 N24 O21 P6 -","- C180 H126 Au6 Cl4 Fe2 N24 O21 P6 -","- C360 H252 Au12 Cl8 Fe4 N48 O42 P12 -","2","0.166667","","Vicente, José; Gil-Rubio, Juan; Barquero, Natalia; Cámara, Verónica; Masciocchi, Norberto","Self-assembly of looped triple-stranded helicates.","Chemical communications (Cambridge, England)","2010","46","7","1053","1055","10.1039/b921279e","","","0.71073","MoKα","","0.0517","0.0404","","","0.1125","0.1215","","","","","","1.06","","","","has coordinates","180156","2020-10-21","18:00:00",""
"7112168","14.62","0.002","14.62","0.002","11.698","0.002","90","","90","","120","","2165.4","0.6","293","2","293","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C24 H6 O18 Ti2 -","- C24 H6 O18 Ti2 -","- C48 H12 O36 Ti4 -","2","0.166667","","Junkuo Gao; Jianwei Miao; Pei-Zhou Li; Wen Yuan Teng; Ling Yang; Yanli Zhao; Bin Liu; Qichun Zhang","A p-type Ti(IV)-based metal-organic framework with visible-light photo-response","Chem.Commun.","2014","50","","3786","","10.1039/C3CC49440C","","","1.54178","CuKα","","0.0325","0.031","","","0.0949","0.0955","","","","","","1.102","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112791","22.5852","0.0004","22.5852","0.0004","7.5192","0.0003","90","","90","","120","","3321.62","0.16","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C35 H34 I3 N3 O5 -","- C27 H18 I3 N3 O3 -","- C108 H72 I12 N12 O12 -","4","0.333333","","Rajput, Lalit; Chernyshev, Vladimir V.; Biradha, Kumar","Assembling triple helical amide-to-amide hydrogen bonded columns of tris(4-halophenyl)benzene-1,3,5-tricarboxamides into porous materials via halogen...halogen interactions.","Chemical communications (Cambridge, England)","2010","46","35","6530","6532","10.1039/c0cc01551b","","","0.71073","MoKα","","0.0866","0.0772","","","0.184","0.1928","","","","","","0.874","","","","has coordinates,has disorder","180241","2020-10-21","18:00:00",""
"7112889","15.9802","0.0003","15.9802","0.0003","15.4016","0.0007","90","","90","","120","","3406.13","0.18","123","2","123","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C57 H87 Gd Mn4 N2 O24 -","- C57 H87 Gd Mn4 N2 O24 -","- C114 H174 Gd2 Mn8 N4 O48 -","2","0.166667","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Murray, Keith S.","Synthesis, structural and magnetic studies of an isostructural family of mixed 3d/4f tetranuclear 'star' clusters.","Chemical communications (Cambridge, England)","2010","46","41","7787","7789","10.1039/c0cc02642e","","","0.71073","MoKα","","0.058","0.0443","","","0.1061","0.1136","","","","","","1.04","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112890","16.036","0.002","16.036","0.002","15.368","0.003","90","","90","","120","","3422.5","0.9","173","2","173","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C57 H87 Dy Mn4 N2 O24 -","- C57 H87 Dy Mn4 N2 O24 -","- C114 H174 Dy2 Mn8 N4 O48 -","2","0.166667","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Murray, Keith S.","Synthesis, structural and magnetic studies of an isostructural family of mixed 3d/4f tetranuclear 'star' clusters.","Chemical communications (Cambridge, England)","2010","46","41","7787","7789","10.1039/c0cc02642e","","","0.77501","synchrotron","","0.0276","0.0273","","","0.0715","0.0716","","","","","","1.1","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7113366","16.3472","0.0008","16.3472","0.0008","28.0214","0.0016","90","","90","","120","","6485","0.6","373","","373","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C32 H24 O12 P4 Zr -","- C32 O12 P4 Zr -","- C192 O72 P24 Zr6 -","6","0.5","","Marco Taddei; Ferdinando Costantino; Riccardo Vivani; Stefano Sabatini; Sang-Ho Lim; Seth M. Cohen","The use of a rigid tritopic phosphonic ligand for the synthesis of a robust honeycomb-like layered zirconium phosphonate framework","Chem.Commun.","2014","50","","5737","","10.1039/C4CC01253D","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.10936","","1.54","","","","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7116593","31.0248","0.001","31.0248","0.001","42.9572","0.0017","90","","90","","120","","35808","2","100","0.1","100","0.1","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C432 H360 B28 F112 N72 O0 Pd6 Zn8 -","- C432 H360 B26 F104 N72 Pd6 Zn8 -","- C864 H720 B52 F208 N144 Pd12 Zn16 -","2","0.166667","","Yang, Yang; Jia, Jian-Hua; Pei, Xiao-Li; Zheng, Hao; Nan, Zi-Ang; Wang, Quan-Ming","Diastereoselective synthesis of O symmetric heterometallic cubic cages","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3804","3807","10.1039/c5cc00087d","","","1.54178","CuKα","","0.1254","0.0986","","","0.2846","0.3192","","","","","","1.193","","","","has coordinates","209669","2020-10-21","18:00:00",""
"7116862","16.789","0.002","16.789","0.002","15.144","0.003","90","","90","","120","","3696.8","1","294","2","294","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C18 H11.33 Co O6.67 -","- C18 H11.32 Co O6.66667 -","- C108 H67.92 Co6 O40 -","6","0.5","","Min Chen; Hui Zhao; Chun-Sen Liu; Xi Wang; Heng-Zhen Shi; Miao Du","Template-directed construction of conformational supramolecular isomers for bilayer porous metal-organic frameworks with distinct gas sorption behaviors","Chem.Commun.","2015","51","","6014","","10.1039/C5cc00018A","","","0.71073","MoKα","","0.0705","0.0565","","","0.171","0.1841","","","","","","1.038","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116864","16.7639","0.0007","16.7639","0.0007","14.9592","0.0011","90","","90","","120","","3640.7","0.3","120","0.1","120","0.1","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C18 H11.33 Co O6.67 -","- C18 H11.32 Co O6.66667 -","- C108 H67.92 Co6 O40 -","6","0.5","","Min Chen; Hui Zhao; Chun-Sen Liu; Xi Wang; Heng-Zhen Shi; Miao Du","Template-directed construction of conformational supramolecular isomers for bilayer porous metal-organic frameworks with distinct gas sorption behaviors","Chem.Commun.","2015","51","","6014","","10.1039/C5cc00018A","","","0.71073","MoKα","","0.0786","0.059","","","0.188","0.2049","","","","","","1.03","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116865","16.7335","0.0004","16.7335","0.0004","14.9637","0.0012","90","","90","","120","","3628.6","0.3","195","0.1","195","0.1","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C18 H11.33 Co O6.67 -","- C18 H11.32 Co O6.66667 -","- C108 H67.92 Co6 O40 -","6","0.5","","Min Chen; Hui Zhao; Chun-Sen Liu; Xi Wang; Heng-Zhen Shi; Miao Du","Template-directed construction of conformational supramolecular isomers for bilayer porous metal-organic frameworks with distinct gas sorption behaviors","Chem.Commun.","2015","51","","6014","","10.1039/C5cc00018A","","","0.71073","MoKα","","0.0826","0.0571","","","0.1731","0.1921","","","","","","1.051","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7117108","8.2865","0.0012","8.2865","0.0012","13.88","0.003","90","","90","","120","","825.4","0.2","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr Mn N O12 -","- C8 H13.98 Cr Mn N0.99 O12 -","- C16 H27.96 Cr2 Mn2 N1.98 O24 -","2","0.166667","","Jiong-Peng Zhao; Song-De Han; Xue Jiang; Sui-Jun Liu; Ran Zhao; Ze Chang; Xian-He Bu","A heterometallic strategy to achieve a large magnetocaloric effect in polymeric 3d complexes","Chem.Commun.","2015","51","","8288","","10.1039/C5cc00915D","","","0.71073","MoKα","","0.0356","0.0333","","","0.0805","0.0817","","","","","","1.234","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117109","8.2708","0.0012","8.2708","0.0012","14.088","0.003","90","","90","","120","","834.6","0.2","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C7 H12 Cr Mn N O12 -","- C7 H12 Cr Mn N0.99 O12 -","- C14 H24 Cr2 Mn2 N1.98 O24 -","2","0.166667","","Jiong-Peng Zhao; Song-De Han; Xue Jiang; Sui-Jun Liu; Ran Zhao; Ze Chang; Xian-He Bu","A heterometallic strategy to achieve a large magnetocaloric effect in polymeric 3d complexes","Chem.Commun.","2015","51","","8288","","10.1039/C5cc00915D","","","0.71073","MoKα","","0.0478","0.0442","","","0.1252","0.1275","","","","","","1.209","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117110","8.2179","0.0012","8.2179","0.0012","13.646","0.003","90","","90","","120","","798.1","0.2","113","2","113","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Al Mn N O12 -","- C8 H13.98 Al Mn N0.99 O12 -","- C16 H27.96 Al2 Mn2 N1.98 O24 -","2","0.166667","","Jiong-Peng Zhao; Song-De Han; Xue Jiang; Sui-Jun Liu; Ran Zhao; Ze Chang; Xian-He Bu","A heterometallic strategy to achieve a large magnetocaloric effect in polymeric 3d complexes","Chem.Commun.","2015","51","","8288","","10.1039/C5cc00915D","","","0.71073","MoKα","","0.0365","0.0352","","","0.1018","0.1028","","","","","","1.12","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117111","8.1565","0.0012","8.1565","0.0012","13.705","0.003","90","","90","","120","","789.6","0.2","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr Mg N O12 -","- C8 H13.98 Cr Mg N0.99 O12 -","- C16 H27.96 Cr2 Mg2 N1.98 O24 -","2","0.166667","","Jiong-Peng Zhao; Song-De Han; Xue Jiang; Sui-Jun Liu; Ran Zhao; Ze Chang; Xian-He Bu","A heterometallic strategy to achieve a large magnetocaloric effect in polymeric 3d complexes","Chem.Commun.","2015","51","","8288","","10.1039/C5cc00915D","","","0.71073","MoKα","","0.0623","0.0543","","","0.1124","0.1157","","","","","","1.232","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7118348","27.0902","0.0013","27.0902","0.0013","30.1891","0.0016","90","","90","","120","","19186.9","1.7","200","2","200","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C38 H70 Na3 O32 S3 -","- C38 H29 Na2.33333 O20 S3 -","- C456 H348 Na28 O240 S36 -","12","1","","Garnett, Graham A. E.; Daze, Kevin D.; Peña Diaz, Jorge A; Fagen, Noah; Shaurya, Alok; Ma, Manuel C. F.; Collins, Mary S.; Johnson, Darren W.; Zakharov, Lev N.; Hof, Fraser","Attraction by repulsion: compounds with like charges undergo self-assembly in water that improves in high salt and persists in real biological fluids.","Chemical communications (Cambridge, England)","2016","52","13","2768","2771","10.1039/c5cc10527g","","","1.54178","CuKα","","0.0989","0.0794","","","0.2433","0.267","","","","","","1.11","","","","has coordinates","177642","2020-10-21","18:00:00",""
"7118593","15.3816","0.0003","15.3816","0.0003","16.8215","0.0004","90","","90","","120","","3446.66","0.13","233","2","233.15","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C64 H24 Co3 N5 O18.75 -","- C63.9996 H24 Co3 N4.9998 O18.7555 -","- C127.999 H48 Co6 N9.9996 O37.511 -","2","0.166667","","Wang, Xiuli; Gao, Wen-Yang; Luan, Jian; Wojtas, Lukasz; Ma, Shengqian","An effective strategy to boost the robustness of metal-organic frameworks via introduction of size-matching ligand braces.","Chemical communications (Cambridge, England)","2016","52","9","1971","1974","10.1039/c5cc09432a","","","1.54178","CuKα","","0.0704","0.0571","","","0.1561","0.1671","","","","","","1.033","","","","has coordinates,has disorder","174807","2020-10-21","18:00:00",""
"7121340","23.0639","0.0003","23.0639","0.0003","30.1054","0.0003","90","","90","","120","","13868.9","0.3","290","2","290","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C90 H84 Cu6 In3 N12 O22 -","- C90 H84 Cu6 In3 N12 O22 -","- C180 H168 Cu12 In6 N24 O44 -","2","0.166667","","Zhou, Mi; Ju, Zhanfeng; Yuan, Daqiang","A new metal-organic framework constructed from cationic nodes and cationic linkers for highly efficient anion exchange","Chemical Communications","2018","","","","","10.1039/C8CC01225C","","","1.54178","CuKα","","0.0693","0.0597","","","0.1815","0.1957","","","","","","1.04","","","","has coordinates,has disorder","206679","2020-10-21","18:00:00",""
"7123232","26.645","0.004","26.645","0.004","10.542","0.002","90","","90","","120","","6481.6","1.8","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C62 H33 Co F3 N12 O8 Ru -","- C60 H33 Co N12 O6 Ru -","- C120 H66 Co2 N24 O12 Ru2 -","2","0.166667","","Schmitt, Wolfgang; Martins, Luana; Macreadie, Lauren; Sensharma, Debobroto; Vaesen, Sebastien; Zhang, Xia; Gough, John; O'Doherty, Mariah; Zhu, Nianyong; Ruether, Manuel; O'Brien, John E; Bradley, A. Louise","Light-harvesting, 3rd generation MOF with large, tubular channel aperture","Chemical Communications","2019","","","","","10.1039/C9CC00206E","","","1.54184","CuKα","","0.1736","0.101","","","0.237","0.28","","","","","","1.056","","","","has coordinates","214417","2020-10-21","18:00:00",""
"7128718","18.9817","0.0006","18.9817","0.0006","28.8986","0.0015","90","","90","","120","","9017.3","0.6","175","","175","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Cr2 Dy6 Na6 Nb30 O148 -","- Cr2 Dy6 Na6 Nb30 O141 -","- Cr4 Dy12 Na12 Nb60 O282 -","2","0.166667","","Lin, Yu-Diao; Ge, Rui; Tian, Chong-Bin; Sun, Cai; Sun, Yan-Qiong; Zeng, Qing-Xin; Li, Xin-Xiong; Zheng, Shou-Tian","3d-4f Heterometallic cluster incorporated polyoxoniobates with magnetic properties.","Chemical communications (Cambridge, England)","2021","57","69","8624","8627","10.1039/d1cc03262c","","","0.71073","MoKα","","0.0419","0.0343","","","0.1018","0.1078","","","","","","0.857","","","","has coordinates","268613","2021-09-06","09:46:20",""
"7128719","19.0042","0.0007","19.0042","0.0007","28.9507","0.0017","90","","90","","120","","9055","0.7","175","","175","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Dy6 Mn2 Na6 Nb30 O148 -","- Dy6 Mn2 Na6 Nb30 O141 -","- Dy12 Mn4 Na12 Nb60 O282 -","2","0.166667","","Lin, Yu-Diao; Ge, Rui; Tian, Chong-Bin; Sun, Cai; Sun, Yan-Qiong; Zeng, Qing-Xin; Li, Xin-Xiong; Zheng, Shou-Tian","3d-4f Heterometallic cluster incorporated polyoxoniobates with magnetic properties.","Chemical communications (Cambridge, England)","2021","57","69","8624","8627","10.1039/d1cc03262c","","","0.71073","MoKα","","0.0366","0.0305","","","0.0775","0.0811","","","","","","0.824","","","","has coordinates","268613","2021-09-06","09:46:27",""
"7128720","18.9931","0.0003","18.9931","0.0003","29.0291","0.0007","90","","90","","120","","9068.9","0.3","175","","175","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Dy6 Fe2 Na6 Nb30 O151 -","- Dy6 Fe2 Na6 Nb30 O139 -","- Dy12 Fe4 Na12 Nb60 O278 -","2","0.166667","","Lin, Yu-Diao; Ge, Rui; Tian, Chong-Bin; Sun, Cai; Sun, Yan-Qiong; Zeng, Qing-Xin; Li, Xin-Xiong; Zheng, Shou-Tian","3d-4f Heterometallic cluster incorporated polyoxoniobates with magnetic properties.","Chemical communications (Cambridge, England)","2021","57","69","8624","8627","10.1039/d1cc03262c","","","0.71073","MoKα","","0.0456","0.0361","","","0.109","0.1128","","","","","","1.076","","","","has coordinates","268613","2021-09-06","09:46:38",""
"7128721","19.0037","0.0003","19.0037","0.0003","28.6076","0.0011","90","","90","","120","","8947.2","0.4","175","","175","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Co2 Dy6 Na6 Nb30 O141 -","- Co2 Dy6 Na6 Nb30 O141 -","- Co4 Dy12 Na12 Nb60 O282 -","2","0.166667","","Lin, Yu-Diao; Ge, Rui; Tian, Chong-Bin; Sun, Cai; Sun, Yan-Qiong; Zeng, Qing-Xin; Li, Xin-Xiong; Zheng, Shou-Tian","3d-4f Heterometallic cluster incorporated polyoxoniobates with magnetic properties.","Chemical communications (Cambridge, England)","2021","57","69","8624","8627","10.1039/d1cc03262c","","","0.71073","MoKα","","0.0392","0.0331","","","0.0744","0.0768","","","","","","1.012","","","","has coordinates","268613","2021-09-06","09:46:38",""
"7130048","18.104","0.004","18.104","0.004","17.218","0.004","90","","90","","120","","4887.2","1.9","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H8 N Ni O6 -","- C8 H8 N Ni O6 -","- C96 H96 N12 Ni12 O72 -","12","1","","Zhang, Bin; Li, Xiu-Yuan; Lu, Yu-Ke; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","C2H2 capture and separation in a MOF based on Ni6 trigonal-prismatic units","Chemical Communications","2022","","","","","10.1039/D2CC01506D","","","0.71073","MoKα","","0.083","0.045","","","0.0972","0.1107","","","","","","0.927","","","","has coordinates,has disorder","274891","2022-05-04","21:54:27",""
"7131874","17.3556","0.0007","17.3556","0.0007","29.8314","0.0019","90","","90","","120","","7781.9","0.7","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C129 H192 Cu21 F12 N9 P2 S20 -","- C129 H192 Cu21 F12.0002 N9 P2 S20 -","- C258 H384 Cu42 F24.0004 N18 P4 S40 -","2","0.166667","","Brocha Silalahi, Rhone P.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Saillard, Jean-Yves; Liu, Chen-Wei","A heteroleptic fused bi-cuboctahedral Cu21S2 cluster","Chemical Communications","2023","","","","","10.1039/D3CC02936K","","","0.71073","MoKα","","0.0941","0.0641","","","0.1682","0.1939","","","","","","1.021","","","","has coordinates,has disorder","285157","2023-07-11","22:02:27",""
"7200305","13.3617","0.0002","13.3617","0.0002","15.8651","0.0005","90","","90","","120","","2453","0.09","100","2","100","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C75 H27 I2 N6 -","- C76.2 H27 I2 N6 -","- C152.4 H54 I4 N12 -","2","0.166667","","Konarev, Dmitry V.; Khasanov, Salavat S.; Otsuka, Akihiro; Saito, Gunzi; Lyubovskaya, Rimma N.","Ionic fullerene complex (DMI+)3·(C60˙−)·(I−)2 with 2H-hexagonal fullerene packing and 3-D DMI±I− network","CrystEngComm","2009","11","5","811","","10.1039/b812803k","","","0.71073","MoKα","","0.0838","0.0772","","","0.2324","0.2401","","","","","","1.081","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7201411","17.2848","0.0006","17.2848","0.0006","19.256","0.0011","90","","90","","120","","4982.2","0.4","120","2","120","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C72 H114 Cu3 Mo6 N12 O57 Te -","- C72 H114 Cu3 Mo6 N12 O57 Te -","- C144 H228 Cu6 Mo12 N24 O114 Te2 -","2","0.166667","","Ali, Mahammad; Dutta, Daipayan; Biswas, Surajit; Marek, Jaromir; Jana, Atish Dipankar","The first crystallographic observation of up to the third hydration layer of Cu(II) ion in an unusual ‘water-cation layer’ templated by an Anderson polyoxometallate","CrystEngComm","2009","11","12","2608","","10.1039/b910732k","","","0.71073","MoKα","","0.064","0.0554","","","0.1312","0.1351","","","","","","1.152","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201821","22.9258","0.0008","22.9258","0.0008","19.46","0.0007","90","0.002","90","0.002","120","0.002","8857.7","0.6","123","2","123","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","hexaacetobis(N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5- tricarboxamide)dipalladium(ii)","hexaacetobis{N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5-tricarboxamide}dipalladium(II)","","- C66 H66 N12 O18 Pd3 -","- C66 H66 N12 O18 Pd3 -","- C264 H264 N48 O72 Pd12 -","4","0.333333","","Westcott, Aleema; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.","Flattened trigonal bipyramidal coordination assembly with trans geometry","CrystEngComm","2008","10","3","276","","10.1039/b716733b","","","0.71073","MoKα","","0.1454","0.0901","","","0.2838","0.346","","","","","","1.245","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201822","22.64","0.0011","22.64","0.0011","19.219","0.003","90","","90","","120","","8531.3","1.5","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","hexaacetobis(N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5- tricarboxamide)dipalladium(ii)","hexaacetobis{N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5-tricarboxamide}dipalladium(II)","","- C66 H66 N12 O18 Pd3 -","- C66 H66 N12 O18 Pd3 -","- C264 H264 N48 O72 Pd12 -","4","0.333333","","Westcott, Aleema; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.","Flattened trigonal bipyramidal coordination assembly with trans geometry","CrystEngComm","2008","10","3","276","","10.1039/b716733b","","","0.71073","MoKα","","0.1866","0.1046","","","0.2704","0.3427","","","","","","1.142","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7202824","14.2158","0.0004","14.2158","0.0004","9.4244","0.0002","90","","90","","120","","1649.4","0.07","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3-diol-H)cobalt(iii) hydrate","","","- C30 H23 Co N6 O7 -","- C30 H22.98 Co N6 O6.99 -","- C60 H45.96 Co2 N12 O13.98 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.06","0.0575","","","0.2134","0.2173","","","","","","1.257","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202825","14.311","0.002","14.311","0.002","9.5165","0.0019","90","","90","","120","","1687.9","0.5","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3'-diol-H)cobalt(iii)","","","- C30 H21 Co N6 O6 -","- C30 H21 Co N6 O6 -","- C60 H42 Co2 N12 O12 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.1372","0.1321","","","0.454","0.4634","","","","","","2.358","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202826","14.1281","0.0003","14.1281","0.0003","9.4484","0.0002","90","","90","","120","","1633.26","0.06","30","2","30","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3-diol-H)cobalt(iii) hydrate","","","- C30 H23 Co N6 O7 -","- C30 H22.98 Co N6 O6.99 -","- C60 H45.96 Co2 N12 O13.98 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0798","0.0628","","","0.1927","0.2086","","","","","","1.102","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202827","14.2706","0.0005","14.2706","0.0005","9.4516","0.0004","90","","90","","120","","1666.94","0.11","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3-diol-H)cobalt(iii) 1,2- dibromobenzene clathrate","","","- C36 H25 Br2 Co N6 O6 -","- C36 H21 Br2.04 Co N6 O6 -","- C72 H42 Br4.08 Co2 N12 O12 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0694","0.0495","","","0.125","0.1378","","","","","","1.054","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7206405","18.87","0.002","18.87","0.002","9.7466","0.0012","90","","90","","120","","3005.6","0.6","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C42 H56 Cl3 Co N18 O19 -","- C42 H30 Cl3 Co N18 O19 -","- C84 H60 Cl6 Co2 N36 O38 -","2","0.166667","","Kawade, Vitthal A.; Kumbhar, Avinash S.; Erxleben, Andrea; Pachfule, Pradip; Banerjee, Rahul","Hydrogen bond directed honeycomb-like porous network structure of tris(bipyridyl-glycoluril)cobalt(iii) chloride","CrystEngComm","2011","13","17","5289","","10.1039/c1ce05376k","","","0.71073","MoKα","","0.1212","0.1015","","","0.2574","0.273","","","","","","1.273","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7211298","13.8385","0.0008","13.8385","","7.8284","0.0008","90","","90","","120","","1298.32","0.15","298","","298","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- B2 H19.69 Mg N5.85 -","- B2 H19.6906 Mg N5.8453 -","- B12 H118.144 Mg6 N35.0718 -","6","0.5","","He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping","Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.","Physical chemistry chemical physics : PCCP","2013","15","25","10487","10493","10.1039/c3cp51473k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.07125","","1.65","","","","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7214102","19.098","0.004","19.098","0.004","16.333","0.003","90","","90","","120","","5159.1","1.8","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C39 H74 N3 O16 P3 -","- C39 H69 N3 O16 P3 -","- C156 H276 N12 O64 P12 -","4","0.333333","","Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy","Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer","CrystEngComm","2014","16","1","51","","10.1039/c3ce40912k","","","0.71075","MoKα","","0.0645","0.0638","","","0.1783","0.179","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214994","18.007","0.003","18.007","0.003","19.288","0.004","90","","90","","120","","5416.3","1.7","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H48 Cd3 K N6 O15 -","- C72 H48 Cd3 K N6 O15 -","- C144 H96 Cd6 K2 N12 O30 -","2","0.166667","","Zhou, Xiaojing; Li, Baiyan; Li, Guanghua; zhou, Qi; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescent properties of cadmium(ii) metal organic frameworks based on 3-pyrid-4-ylbenzoic acid, 4-pyrid-4-ylbenzoic acid ligands","CrystEngComm","2012","14","14","4664","","10.1039/c2ce25328c","","","0.71073","MoKα","","0.0746","0.0619","","","0.1541","0.162","","","","","","1.11","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7217227","16.55","0.002","16.55","0.002","14.748","0.003","90","","90","","120","","3498.3","0.9","100","2","100","2","","","","","","","chemical reaction","5","P -3 1 c","-P 3 2c","163","ZnCaBTB","ZnCaBTB","","- C69.25 H65.28 Ca O19.14 Zn2 -","- C69.258 H65.316 Ca O19.136 Zn2 -","- C138.516 H130.632 Ca2 O38.272 Zn4 -","2","0.166667","","Noh, Kyungkyou; Ko, Nakeun; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon","Two porous metal‒organic frameworks containing zinc‒calcium clusters and calcium cluster chains","CrystEngComm","2014","16","37","8664","","10.1039/C4CE01237B","","","0.63","synchrotron","","0.0707","0.0701","","","0.2006","0.201","","","","","","1.187","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7219379","19.5639","0.0004","19.5639","0.0004","26.8732","0.0009","90","","90","","120","","8907.6","0.4","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C69 H57.5 Cd3 N26.5 O14 -","- C69 H57.5 Cd3 N26.5 O14 -","- C276 H230 Cd12 N106 O56 -","4","0.333333","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0685","0.0626","","","0.1587","0.163","","","","","","1.016","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7224311","8.2603","0.0003","8.2603","0.0003","13.8466","0.0004","90","","90","","120","","818.21","0.05","159.97","0.18","159.97","0.18","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H14.0016 Fe2 N1.0002 O12 -","- C16 H28.0032 Fe4 N2.0004 O24 -","2","0.166667","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.027","0.0216","","","0.048","0.0499","","","","","","1.041","","","","has coordinates","182801","2020-10-21","18:00:00",""
"7229316","8.2353","0.0004","8.2353","0.0004","13.7385","0.0013","90","","90","","120","","806.92","0.09","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr Fe N O12 -","- C8.0004 H14.0016 Cr Fe N1.0002 O12 -","- C16.0008 H28.0032 Cr2 Fe2 N2.0004 O24 -","2","0.166667","","Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming; Zhang, Jing; Song, You","Study of the relationship between magnetic field and dielectric properties in two ferromagnetic complexes","RSC Adv.","2017","7","76","47913","","10.1039/C7RA08695D","","","0.71073","MoKα","","0.0246","0.023","","","0.0612","0.0619","","","","","","1.167","","","","has coordinates,has disorder","201970","2020-10-21","18:00:00",""
"7229317","8.1651","0.0003","8.1651","0.0003","13.5314","0.001","90","","90","","120","","781.26","0.07","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr N Ni O12 -","- C8.0004 H14.0016 Cr N1.0002 Ni O12 -","- C16.0008 H28.0032 Cr2 N2.0004 Ni2 O24 -","2","0.166667","","Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming; Zhang, Jing; Song, You","Study of the relationship between magnetic field and dielectric properties in two ferromagnetic complexes","RSC Adv.","2017","7","76","47913","","10.1039/C7RA08695D","","","0.71073","MoKα","","0.033","0.0285","","","0.0643","0.0658","","","","","","1.155","","","","has coordinates,has disorder","201970","2020-10-21","18:00:00",""
"7234008","6.1456","0.0006","6.1456","0.0006","10.5585","0.0011","90","","90","","120","","345.35","0.06","100","2","100","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Al2 O4 Sr -","- Al2 O4 Sr -","- Al8 O16 Sr4 -","4","0.333333","","Xufan Li; John D. Budai; Feng Liu; Yu-Sheng Chen; Jane Y. Howe; Chengjun Sun; Jonathan Z. Tischler; Richard S. Meltzer; Zhengwei Pan","Crystal structures and optical properties of new quaternary strontium europium aluminate luminescent nanoribbons","Journal of Materials Chemistry C","2015","3","","778","788","10.1039/C4TC02002B","","","0.4428","","","0.0708","0.059","","","0.1724","0.1808","","","","","","1.112","","","","has coordinates","218590","2020-10-21","18:00:00",""
"7234559","8.2294","0.0002","8.2294","0.0002","14.1221","0.0005","90","","90","","120","","828.26","0.04","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C7.9999 H14.0016 Fe2 N O12 -","- C15.9998 H28.0032 Fe4 N2 O24 -","2","0.166667","","Miroslaw Maczka; Aneta Ciupa; Anna Gagor; Adam Sieradzki; Adam Pikul; Maciej Ptak","Structural, magnetic and dielectric properties of two novel mixed-valence iron(ii)-iron(iii) metal formate frameworks","Journal of Materials Chemistry C","2016","4","","1186","1193","10.1039/C5TC03683F","","","0.7107","MoKα","","0.0458","0.0379","","","0.1059","0.1128","","","","","","1.093","","","","has coordinates,has disorder","219292","2020-10-21","18:00:00",""
"7234560","8.4483","0.0002","8.4483","0.0002","13.7058","0.0004","90","","90","","120","","847.18","0.04","260","2","260","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C10 H18 Fe2 N O12 -","- C9.9996 H17.9994 Fe2 N0.9999 O12 -","- C19.9992 H35.9988 Fe4 N1.9998 O24 -","2","0.166667","","Miroslaw Maczka; Aneta Ciupa; Anna Gagor; Adam Sieradzki; Adam Pikul; Maciej Ptak","Structural, magnetic and dielectric properties of two novel mixed-valence iron(ii)-iron(iii) metal formate frameworks","Journal of Materials Chemistry C","2016","4","","1186","1193","10.1039/C5TC03683F","","","0.71073","MoKα","","0.0337","0.0292","","","0.0771","0.0793","","","","","","1.084","","","","has coordinates,has disorder","219292","2020-10-21","18:00:00",""
"7234664","8.6962","0.0002","8.6962","0.0002","13.6572","0.0006","90","","90","","120","","894.44","0.05","360","2","360","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C10 H20 Mn2 N2 O12 -","- C9.9998 H19.9986 Mn2 N1.9998 O12 -","- C19.9996 H39.9972 Mn4 N3.9996 O24 -","2","0.166667","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0523","0.0478","","","0.1392","0.1429","","","","","","1.201","","","","has coordinates,has disorder","219386","2020-10-21","18:00:00",""
"7242535","16.7906","0.0007","16.7906","0.0007","24.3807","0.001","90","","90","","120","","5952.6","0.4","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","[Mn3]2ppmd","","- C93 H93 Cl26 Mn6 N15 O28 -","- C87 H81 Cl14 Mn6 N15 O27.9998 -","- C174 H162 Cl28 Mn12 N30 O55.9996 -","2","0.166667","","Christou, George; Wernsdorfer, Wolfgang; Ghosh, Tuhin; Abboud, Khalil A.; Marbey, Jonathan; Hill, Stephen","Exchange-biased Quantum Tunnelling of Magnetization in a [Mn3]2 Dimer of Single-Molecule Magnets with Rare Ferromagnetic Inter-Mn3 Coupling","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06611G","","","0.71073","MoKα","","0.0665","0.0421","","","0.1037","0.1112","","","","","","1.04","","","","has coordinates,has disorder","263349","2021-03-26","05:15:54",""
"7244491","24.169","0.007","24.169","0.007","18.917","0.008","90","","90","","120","","9570","6","296","2","296","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C68.83 H89.66 O10 -","- C68.83 H89.66 O10 -","- C412.98 H537.96 O60 -","6","0.5","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1444","0.0713","","","0.2012","0.2676","","","","","","0.989","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244494","23.363","0.017","23.363","0.017","18.709","0.014","90","","90","","120","","8844","11","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C58 H73 Cl O9 -","- C58 H73 Cl O9 -","- C348 H438 Cl6 O54 -","6","0.5","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1697","0.0808","","","0.2053","0.2748","","","","","","1.022","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7703426","5.2488","0.0003","5.2488","0.0003","22.702","0.0014","90","","90","","120","","541.65","0.06","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C Mn3 O11 Rb2 V2 -","- C Mn3 O11 Rb2 V2 -","- C2 Mn6 O22 Rb4 V4 -","2","0.166667","","Smith Pellizzeri, Tiffany M.; Sanjeewa, Liurukara D.; Pellizzeri, Steven; McMillen, Colin D.; Garlea, V. Ovidiu; Ye, Feng; Sefat, Athena S.; Kolis, Joseph W.","Single crystal neutron and magnetic measurements of Rb<sub>2</sub>Mn<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>CO<sub>3</sub> and K<sub>2</sub>Co<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>CO<sub>3</sub> with mixed honeycomb and triangular magnetic lattices.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4323","4335","10.1039/c9dt03389k","","","0.71073","MoKα","","0.04","0.0299","","","0.0667","0.0701","","","","","","1.18","","","","has coordinates","251647","2020-10-21","18:00:00",""
"7703929","18.013","0.0014","18.013","0.0014","23.271","0.0017","90","","90","","120","","6539.1","0.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C96 H129 N9 Ni29.27 O42 Pd5.73 -","- C96 H129 N9 Ni29.268 O42 Pd5.732 -","- C192 H258 N18 Ni58.536 O84 Pd11.464 -","2","0.166667","","Berti, Beatrice; Cesari, Cristiana; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano","Redox active Ni-Pd carbonyl alloy nanoclusters: syntheses, molecular structures and electrochemistry of [Ni<sub>22-x</sub>Pd<sub>20+x</sub>(CO)<sub>48</sub>]<sup>6-</sup> (x = 0.62), [Ni<sub>29-x</sub>Pd<sub>6+x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.09) and [Ni<sub>29+x</sub>Pd<sub>6-x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.27).","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5513","5522","10.1039/d0dt00337a","","","0.71073","MoKα","","0.1234","0.0988","","","0.2516","0.2793","","","","","","1.089","","","","has coordinates,has disorder","252756","2020-10-21","18:00:00",""
"7703930","18.0295","0.0015","18.0295","0.0015","23.386","0.002","90","","90","","120","","6583.5","1","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C95 H129 N9 Ni28.91 O42 Pd6.09 -","- C94.9998 H129 N9 Ni28.914 O42 Pd6.086 -","- C190 H258 N18 Ni57.828 O84 Pd12.172 -","2","0.166667","","Berti, Beatrice; Cesari, Cristiana; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano","Redox active Ni-Pd carbonyl alloy nanoclusters: syntheses, molecular structures and electrochemistry of [Ni<sub>22-x</sub>Pd<sub>20+x</sub>(CO)<sub>48</sub>]<sup>6-</sup> (x = 0.62), [Ni<sub>29-x</sub>Pd<sub>6+x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.09) and [Ni<sub>29+x</sub>Pd<sub>6-x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.27).","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5513","5522","10.1039/d0dt00337a","","","0.71073","MoKα","","0.1205","0.1011","","","0.2246","0.239","","","","","","1.212","","","","has coordinates,has disorder","252756","2020-10-21","18:00:00",""
"7707794","20.6961","0.0019","20.6961","0.0019","23","0.002","90","","90","","120","","8531.7","1.3","173","2","173","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C133 H192 Ag15 F3 O4 P6 S14 -","- C133 H192 Ag15 F3.0006 O4.0008 P6 S14.0002 -","- C266 H384 Ag30 F6.0012 O8.0016 P12 S28.0004 -","2","0.166667","","Shen, Yang-Lin; Zhao, Pei; Jin, Jun-Ling; Han, Jun; Liu, Chen; Liu, Zheng; Ehara, Masahiro; Xie, Yun-Peng; Lu, Xing","A comparative study of [Ag<sub>11</sub>(<sup><i>i</i></sup>PrS)<sub>9</sub>(dppb)<sub>3</sub>]<sup>2+</sup> and [Ag<sub>15</sub>S(<sup><i>s</i></sup>BuS)<sub>12</sub>(dppb)<sub>3</sub>]<sup>+</sup>: templating effect on structure and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10561","10566","10.1039/d1dt01111a","","x-ray","0.71073","MoKα","","0.1845","0.1021","","","0.2427","0.2882","","","","","","0.984","","","","has coordinates,has disorder","268778","2021-09-06","11:17:48",""
"7710002","8.9389","0.0005","8.9389","0.0005","9.6152","0.0005","90","","90","","120","","665.36","0.06","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 Ni O4 S0.98 -","- C6 H24 N6 Ni O3.9996 S0.981 -","- C12 H48 N12 Ni2 O7.9992 S1.962 -","2","0.166667","","Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun","A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion","Dalton Transactions","2022","","","","","10.1039/D2DT00506A","","x-ray","0.71073","MoKα","","0.0318","0.0299","","","0.0756","0.0764","","","","","","1.165","","","","has coordinates","274465","2022-04-11","23:22:11",""
"7710004","9.0947","0.0004","9.0947","0.0004","9.5725","0.0005","90","","90","","120","","685.7","0.06","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Mn N6 O4 S -","- C6 H24 Mn N6 O3.9996 S -","- C12 H48 Mn2 N12 O7.9992 S2 -","2","0.166667","","Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun","A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion","Dalton Transactions","2022","","","","","10.1039/D2DT00506A","","","0.71073","MoKα","","0.0322","0.029","","","0.077","0.0788","","","","","","1.115","","","","has coordinates,has disorder","274465","2022-04-11","23:22:11",""
"7710005","9.1957","0.0003","9.1957","0.0003","9.5096","0.0004","90","","90","","120","","696.41","0.04","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Cd N6 O4 S -","- C6 H24 Cd N6 O3.9996 S -","- C12 H48 Cd2 N12 O7.9992 S2 -","2","0.166667","","Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun","A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion","Dalton Transactions","2022","","","","","10.1039/D2DT00506A","","","0.71073","MoKα","","0.0303","0.0294","","","0.0749","0.0756","","","","","","1.067","","","","has coordinates,has disorder","274465","2022-04-11","23:22:12",""
"7710993","15.6733","0.0003","15.6733","0.0003","32.6686","0.0007","90","","90","","120","","6950","0.2","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C45 H42 Co N3 S6 -","- C45 H42 Co N3 S6 -","- C270 H252 Co6 N18 S36 -","6","0.5","","Sarker, Jagodish C.; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Hogarth, Graeme","Diaryl dithiocarbamates: synthesis, oxidation to thiuram disulfides, Co(iii) complexes [Co(S2CNAr2)3] and their use as single source precursors to CoS2","Dalton Transactions","2022","","","","","10.1039/D2DT01767A","","x-ray","0.71075","MoKα","K-L~3~","0.0538","0.0454","","","0.1157","0.1203","","","","","","1.044","","","","has coordinates","277266","2022-08-16","22:50:38",""
"7715114","32.5846","0.0004","32.5846","0.0004","34.4461","0.0006","90","","90","","120","","31673.5","0.8","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","La18","","- C356 H549 Cl7 La18 N30 O83 -","- C320 H420 Cl7 La18 N18 O71 -","- C640 H840 Cl14 La36 N36 O142 -","2","0.166667","","Jiao, Yushu; Sanz, Sergio; van Leusen, Jan; Gracia, David; Canaj, Angelos B.; Evangelisti, Marco; Brechin, Euan K.; Dalgarno, Scott J.; Kögerler, Paul","Tandem templating strategies facilitate the assembly of calix[8]arene-supported Ln<sub>18</sub> clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4624","4630","10.1039/d4dt00280f","","","1.54178","CuKα","","0.1262","0.0832","","","0.2445","0.3071","","","","","","0.999","","","","has coordinates,has disorder","290916","2024-04-04","23:17:52",""
"7715725","17.1911","0.001","17.1911","0.001","27.1386","0.0015","90","","90","","120","","6945.9","0.7","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C210 H214 Co24 N12 O107 P12 -","- C210 H213.999 Co24 N12 O107 P12 -","- C210 H213.999 Co24 N12 O107 P12 -","1","0.0833333","","Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli","Discovery of two predictable (3, 18)-connected topologies based on Wells-Dawson type cage for the design of porous metal phosphonocarboxylate frameworks","Dalton Transactions","2024","","","","","10.1039/D4DT00590B","","","0.71073","MoKα","","0.0584","0.0483","","","0.1392","0.1496","","","","","","1.024","","","","has coordinates,has disorder","291210","2024-04-15","23:12:49",""
"7715727","17.4015","0.0002","17.4015","0.0002","27.7085","0.0006","90","","90","","120","","7266.4","0.2","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C210 H216 Mn24 N12 O108 P12 -","- C210 H214 Mn24 N12 O107 P12 -","- C210 H214 Mn24 N12 O107 P12 -","1","0.0833333","","Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli","Discovery of two predictable (3, 18)-connected topologies based on Wells-Dawson type cage for the design of porous metal phosphonocarboxylate frameworks","Dalton Transactions","2024","","","","","10.1039/D4DT00590B","","","0.71073","MoKα","","0.059","0.0521","","","0.1461","0.1539","","","","","","0.937","","","","has coordinates,has disorder","291210","2024-04-15","23:12:49",""
"8100958","14.073","0.001","14.073","0.001","32.519","0.001","90","0.01","90","0.01","120","0.01","5577.1","0.6","298","","298","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C10 H16 O5 Sn -","- C10 H16 O5 Sn -","- C120 H192 O60 Sn12 -","12","1","","Verdenelli, Martine; Parola, Stephane; Lecoq, Sylvain; Hubert-Pfalzgraf, Liliane G.","Crystal structure of tris[oxo-bis(2,4-pentanedionato)tin(IV)], [SnO (acac)~2~]~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","295","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","200410","2020-10-21","18:00:00",""
"9000206","10.922","","10.922","","17.084","","90","","90","","120","","1764.92","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","Coquimbite","- Al0.9 Fe3.1 H36 O42 S6 -","- Al0.9 Fe3.1 H36 O42 S6 -","- Al1.8 Fe6.2 H72 O84 S12 -","2","0.166667","","Fang, J. H.; Robinson, P. D.","Crystal structures and mineral chemistry of hydrated ferric sulfates. I. The crystal structure of coquimbite","American Mineralogist","1970","55","","1534","1540","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9005751","10.9153","","10.9153","","17.077","","90","","90","","120","","1762.03","","","","","","","","","","","","Synthetic","5","P -3 1 c","-P 3 2c","163","","","Coquimbite","- Al1.058 Fe2.942 H36 O42 S6 -","- Al1.058 Fe2.942 H36 O42 S6 -","- Al2.116 Fe5.884 H72 O84 S12 -","2","0.166667","","Majzlan, J.; Navrotsky, A.; McCleskey, R. B.; Alpers, C. N.","Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5","European Journal of Mineralogy","2006","18","","175","186","10.1127/0935-1221/2006/0018-0175","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006847","5.258","","5.258","","5.64","","90","","90","","120","","135.036","","","","","","","","7200000","","","","","3","P -3 1 c","-P 3 2c","163","","","Witherite","- C Ba O3 -","- C0.5 Ba0.5 O1.5 -","- C2 Ba2 O6 -","4","0.333333","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 7.2 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007439","5.982","","5.982","","11.509","","90","","90","","120","","356.665","","","","","","","","","","","","Synthetic","2","P -3 1 c","-P 3 2c","163","","","Murchisite","- Cr5 S6 -","- Cr5 S6 -","- Cr10 S12 -","2","0.166667","","Jellinek, F.","The structures of the chromium sulphides","Acta Crystallographica","1957","10","","620","628","10.1107/S0365110X57002200","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007440","5.939","","5.939","","11.192","","90","","90","","120","","341.873","","","","","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","","","- Cr2 S3 -","- Cr2 S3 -","- Cr8 S12 -","4","0.333333","","Jellinek, F.","The structures of the chromium sulphides","Acta Crystallographica","1957","10","","620","628","10.1107/S0365110X57002200","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9012120","5.937","","5.937","","11.466","","90","","90","","120","","350.007","","","","","","","","","","","","Synthetic","3","P -3 1 c","-P 3 2c","163","","","","- Fe S6 Ti3 -","- Fe S6 Ti3 -","- Fe2 S12 Ti6 -","2","0.166667","","Takahashi, T.; Yamada, O.","Crystallographic and magnetic properties of the Cd(OH)2 layer structure compound TiS2 containing extra iron","Journal of Solid State Chemistry","1973","7","","25","30","10.1016/0022-4596(73)90116-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012332","4.996","","4.996","","9.636","","90","","90","","120","","208.292","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","Colquiriite","- Al Ca F6 Li -","- Al Ca F6 Li -","- Al2 Ca2 F12 Li2 -","2","0.166667","","Viebahn, W.","Untersuchungen an quaternaren fluoriden LiMeIIMeIIIF6 die struktur von LiCaAlF6","Zeitschrift fur Anorganische und Allgemeine Chemie","1971","386","","335","339","10.1002/zaac.19713860311","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012618","5.007","","5.007","","9.642","","90","","90","","120","","209.34","","","","","","","","","","","","Synthetic","4","P -3 1 c","-P 3 2c","163","","","Colquiriite","- Al Ca F6 Li -","- Al Ca F6 Li -","- Al2 Ca2 F12 Li2 -","2","0.166667","","Bolotina, N. B.; Maksimov, B. A.; Simonov, V. I.; Derzhavin, S. I.; Uvarova, T. V.; Apollonov, V. V.","Atomic structure and spectral properties of LiCaAlF6:Cr3+ single crystals","Crystallography Reports","1993","38","","446","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012619","5.008","","5.008","","9.642","","90","","90","","120","","209.424","","","","","","","","","","","","Synthetic","4","P -3 1 c","-P 3 2c","163","","","Colquiriite","- Al Ca F6 Li -","- Al Ca F6 Li -","- Al2 Ca2 F12 Li2 -","2","0.166667","","Bolotina, N. B.; Maksimov, B. A.; Simonov, V. I.; Derzhavin, S. I.; Uvarova, T. V.; Apollonov, V. V.","Atomic structure and spectral properties of LiCaAlF6:Cr3+ single crystals Sample: LiCaAlF6:Cr3+","Crystallography Reports","1993","38","","446","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012762","2.955","","2.955","","9.37","","90","","90","","120","","70.857","","","","","","","","","","","","Synthetic","2","P -3 1 c","-P 3 2c","163","","","Ferrihydrite","- Fe0.39 O0.595 -","- Fe0.39 O0.595 -","- Fe1.56 O2.38 -","4","0.333333","","Jansen, E.; Kyek, A.; Schafer, W.; Schwertmann, U.","The structure of six-line ferrihydrite Sample: defect-free refinement","Applied Physics A","2002","74","","S1004","S1006","10.1007/s003390101175","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9014336","10.937","","10.937","","17.0813","","90","","90","","120","","1769.49","","","","","","","","","","","","La Alcaparrosa, Chile","5","P -3 1 c","-P 3 2c","163","","","Coquimbite","- Al0.761 Fe3.239 H36 O42 S6 -","- Al0.761 Fe3.239 H36 O42 S6 -","- Al1.522 Fe6.478 H72 O84 S12 -","2","0.166667","","Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I.","Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals","The Canadian Mineralogist","2010","48","","323","333","10.3749/canmin.48.2.323","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015118","10.917","","10.917","","17.0829","","90","","90","","120","","1763.19","","","","","","","","","","","","the Dexter No. 7 mine, Calf Mesa, San Rafael Swell, Utah, USA","5","P -3 1 c","-P 3 2c","163","","","Coquimbite","- Al Fe3 H36 O42 S6 -","- Al Fe3 H36 O42 S6 -","- Al2 Fe6 H72 O84 S12 -","2","0.166667","","Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I.","Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals","The Canadian Mineralogist","2010","48","","323","333","10.3749/canmin.48.2.323","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015843","10.7065","","10.7065","","17.3077","","90","","90","","120","","1718.17","","","","","","","","","","","","Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy","5","P -3 1 c","-P 3 2c","163","","","Aluminocoquimbite","- Al Fe H18 O21 S3 -","- Al Fe H18 O21 S3 -","- Al4 Fe4 H72 O84 S12 -","4","0.333333","","Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I.","Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals Note: sample vulc2","The Canadian Mineralogist","2010","48","","323","333","10.3749/canmin.48.2.323","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9016273","10.91","","10.91","","17.0625","","90","","90","","120","","1758.83","","","","","","","","","","","","Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy","5","P -3 1 c","-P 3 2c","163","","","Coquimbite","- Al Fe3 H36 O42 S6 -","- Al Fe3 H36 O42 S6 -","- Al2 Fe6 H72 O84 S12 -","2","0.166667","","Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I.","Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals Note: sample vulc1","The Canadian Mineralogist","2010","48","","323","333","10.3749/canmin.48.2.323","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017915","10.9344","","10.9344","","17.09","","90","","90","","120","","1769.55","","","","","","","","","","","","Hongshan Cu-Au deposit, NW China","5","P -3 1 c","-P 3 2c","163","","","Coquimbite","- Al0.38 Fe1.621 H18 O21 S3 -","- Al0.3795 Fe1.6205 H18 O21 S3 -","- Al1.518 Fe6.482 H72 O84 S12 -","4","0.333333","","Yang, Z.; Giester, G.","Structure refinements of coquimbite and paracoquimbite from the Hongshan Cu-Au deposit, NW China","European Journal of Mineralogy","2018","30","","849","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""