# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-22T12:31:28+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I b a m' 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
"1008080","16.915","","7.954","","5.233","","90","","90","","90","","704.1","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Titanium germanium (6/5)","","- Ge5 Ti6 -","- Ge5 Ti6 -","- Ge20 Ti24 -","4","0.25","","Spinat, P; Fruchart, R","Structure des phase binaires V~6~ Si~5~ et Ti~6~ Ge~5~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","23","36","","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008520","13.292","0.004","7.028","0.003","6.548","0.003","90","","90","","90","","611.7","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Dipotassium catena-diarsenidogermanate","","- As2 Ge K2 -","- As2 Ge K2 -","- As8 Ge4 K8 -","4","0.25","","Eisenmann, B; Klein, J","SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und (SnAs~2~^2-^) in Alkaliverbindungen","Journal of the Less-Common Metals","1991","175","","109","117","10.1016/0022-5088(91)90355-8","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008521","13.974","0.004","7.454","0.003","6.942","0.003","90","","90","","90","","723.1","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Dirubidium catena-diarsenidostannate","","- As2 Rb2 Sn -","- As2 Rb2 Sn -","- As8 Rb8 Sn4 -","4","0.25","","Eisenmann, B; Klein, J","SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und (SnAs~2~^2-^) in Alkaliverbindungen","Journal of the Less-Common Metals","1991","175","","109","117","10.1016/0022-5088(91)90355-8","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008522","14.127","0.004","7.462","0.003","6.196","0.003","90","","90","","90","","653.2","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Dicaesium catena-diphosphidosilicate","","- Cs2 P2 Si -","- Cs2 P2 Si -","- Cs8 P8 Si4 -","4","0.25","","Eisenmann, B; Klein, J","SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und (SnAs~2~^2-^) in Alkaliverbindungen","Journal of the Less-Common Metals","1991","175","","109","117","10.1016/0022-5088(91)90355-8","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008523","14.425","0.004","7.571","0.003","6.42","0.003","90","","90","","90","","701.1","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Dicaesium catena-diarsenidosilicate","","- As2 Cs2 Si -","- As2 Cs2 Si -","- As8 Cs8 Si4 -","4","0.25","","Eisenmann, B; Klein, J","SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und (SnAs~2~^2-^) in Alkaliverbindungen","Journal of the Less-Common Metals","1991","175","","109","117","10.1016/0022-5088(91)90355-8","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008524","14.657","0.004","7.733","0.003","6.953","0.003","90","","90","","90","","788.1","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Dicaesium catena-diarsenidostannate","","- As2 Cs2 Sn -","- As2 Cs2 Sn -","- As8 Cs8 Sn4 -","4","0.25","","Eisenmann, B; Klein, J","SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und (SnAs~2~^2-^) in Alkaliverbindungen","Journal of the Less-Common Metals","1991","175","","109","117","10.1016/0022-5088(91)90355-8","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008917","15.966","","7.501","","4.858","","90","","90","","90","","581.8","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Vanadium silicide (6/5)","","- Si5 V6 -","- Si5 V6 -","- Si20 V24 -","4","0.25","","Spinat, P; Fruchart, R","Structure des phases binaires V6 Si5 et Ti6 Ge5","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","23","36","","","","","","","0.134","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010308","5.58","0.03","5.93","0.03","6.04","0.03","90","","90","","90","","199.9","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Silver azide","","- Ag N3 -","- Ag N3 -","- Ag4 N12 -","4","0.25","","Bassiere, M","Structure cristalline de l'azoture d'argent.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1935","201","","735","737","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010409","9.57","0.01","5.65","0.01","5.54","0.01","90","","90","","90","","299.6","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Silicon sulfide","","- S2 Si -","- S2 Si -","- S8 Si4 -","4","0.25","","Buessem, W; Fischer, H; Gruner, E","Die Struktur des Siliciumdisulfids","Naturwissenschaften","1935","23","","740","740","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1507420","11.68","0.001","20.5299","0.0018","8.0429","0.0015","90","","90","","90","","1928.6","0.4","143","2","143","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C8 H14 F6 N2 O8 S2 Sr -","- C8 H14 F6 N2 O8 S2 Sr -","- C32 H56 F24 N8 O32 S8 Sr4 -","4","0.25","","Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E.","Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers","The Journal of Physical Chemistry A","2002","106","41","9612","","10.1021/jp026061w","","","0.71073","MoKα","","0.0371","0.0346","","","0.0907","0.0934","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507421","11.751","0.004","20.78","0.006","8.1345","0.0016","90","","90","","90","","1986.3","1","293","2","293","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C8 H14 F6 N2 O8 S2 Sr -","- C8 H14 F6 N2 O8 S2 Sr -","- C32 H56 F24 N8 O32 S8 Sr4 -","4","0.25","","Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E.","Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers","The Journal of Physical Chemistry A","2002","106","41","9612","","10.1021/jp026061w","","","0.7107","MoKα","","0.0553","0.052","","","0.1383","0.1445","","","","","","1.155","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509475","5.463","","10.926","","5.926","","90","","90","","90","","353.715","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Na3 Ag O2","","- Ag Na3 O2 -","- Ag Na3 O2 -","- Ag4 Na12 O8 -","4","0.25","","Klassen, H.; Hoppe, R.","Alkalioxoargentate(I). Ueber Na3 Ag O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","485","","92","100","10.1002/zaac.19824850109","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509476","6.38","","12.581","","6.896","","90","","90","","90","","553.52","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Na3 Ag S2","","- Ag Na3 S2 -","- Ag Na3 S2 -","- Ag4 Na12 S8 -","4","0.25","","Bronger, W.; Klepp, K.O.","Ein Thioargentat mit isolierten Anionen","Journal of the Less-Common Metals","1985","106","","95","101","10.1016/0022-5088(85)90370-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510207","8.625","","11.293","","16.425","","90","","90","","90","","1599.83","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","K (Au Se5)","","- Au K Se5 -","- Au K Se5 -","- Au8 K8 Se40 -","8","0.5","","Kanatzidis, M.G.; Park, Y.","On the dissolution of gold in K2 Qx and Na2 Qx fluxes (Q = S, Se). Formation of K Au S5, K Au Se5, Cs Au Se3, K Au Se2 and Na Au Se2: low-dimensional Au(+) and Au(3+) compounds with poly- and mono-chalcogenide ligands","Journal of Alloys Compd.","1997","257","","137","145","10.1016/S0925-8388(96)03130-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510535","10.568","","6.973","","14.69","","90","","90","","90","","1082.52","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","K2 Au4 Cd S4","","- Au4 Cd K2 S4 -","- Au4 Cd K2 S4 -","- Au16 Cd4 K8 S16 -","4","0.25","","Axtell, E.A.; Kanatzidis, M.G.","First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = rb, Cs) andK2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates","Chemistry - A European Journal","1998","4","","2435","2441","10.1002/(SICI)1521-3765(19981204)4:12<2435::AID-CHEM2435>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514753","17.9559","0.0007","18.8882","0.0007","17.9394","0.0007","90","","90","","90","","6084.2","0.4","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C30 H34 Ag F6 N5 P -","- C30 H34 Ag F6 N5 P -","- C240 H272 Ag8 F48 N40 P8 -","8","0.5","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.0504","0.0474","","","0.1359","0.1423","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514758","18.7883","0.001","17.8671","0.0008","18.1775","0.0007","90","","90","","90","","6102","0.5","150","2","150","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C30 H35 Au F6 N5 O0 P -","- C30 H35 Au F6 N5 P -","- C240 H280 Au8 F48 N40 P8 -","8","0.5","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.0616","0.0547","","","0.1377","0.1432","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515510","22.9688","0.001","18.0778","0.0006","21.4031","0.0007","90","","90","","90","","8887.1","0.6","150","","150","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C56.15 H47.03 Co1.58 F24 N8 O7.09 P4 -","- C56.154 H47.032 Co1.576 F24 N8 O7.092 P4 -","- C224.616 H188.128 Co6.304 F96 N32 O28.368 P16 -","4","0.25","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1821","0.1542","","0.2606","0.1803","0.1803","","","","","","1.0106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517996","16.5699","0.0016","10.4295","0.0013","6.4616","0.0004","90","","90","","90","","1116.67","0.19","293","2","293","2","","","100","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.118","0.0531","","","0.0761","0.0952","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517997","16.569","0.0018","10.3439","0.0016","6.4085","0.0004","90","","90","","90","","1098.3","0.2","293","2","293","2","","","200000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H16 N4 Ni O4 -","- C32 H64 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0823","0.0443","","","0.0748","0.0861","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517998","16.4739","0.0016","10.2024","0.0014","6.2972","0.0004","90","","90","","90","","1058.39","0.19","293","2","293","2","","","600000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0779","0.0445","","","0.0747","0.0843","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517999","16.3688","0.0017","10.0853","0.0015","6.1843","0.0004","90","","90","","90","","1020.9","0.2","293","2","293","2","","","1200000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.1023","0.061","","","0.1648","0.2308","","","","","","1.229","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518000","16.2653","0.0017","10.0195","0.0014","6.0897","0.0004","90","","90","","90","","992.44","0.19","293","2","293","2","","","1900000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H16 N4 Ni O4 -","- C32 H64 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0724","0.0407","","","0.0737","0.0851","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518001","16.1082","0.0014","9.9613","0.0012","5.9848","0.0003","90","","90","","90","","960.31","0.15","293","2","293","2","","","2800000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.067","0.0426","","","0.0801","0.0869","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518002","16.038","0.0011","9.939","0.001","5.9397","0.0003","90","","90","","90","","946.8","0.12","293","2","293","2","","","3200000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0741","0.0489","","","0.0826","0.0898","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518003","15.9507","0.0013","9.9145","0.0011","5.8872","0.0003","90","","90","","90","","931.02","0.14","293","2","293","2","","","3900000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H16 N4 Ni O4 -","- C32 H64 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0641","0.0399","","","0.0857","0.0959","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518004","15.8529","0.0013","9.8959","0.001","5.8379","0.0003","90","","90","","90","","915.84","0.13","293","2","293","2","","","4500000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0613","0.0384","","","0.0806","0.0896","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518005","15.7412","0.00013","9.8887","0.00012","5.7878","0.0003","90","","90","","90","","900.93","0.05","293","2","293","2","","","5100000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0674","0.0446","","","0.0937","0.1047","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518779","30.868","0.006","17.517","0.004","24.155","0.005","90","","90","","90","","13061","5","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C38 H34 Cl2 Ir N P2 -","- C38 H34 Cl2 Ir N P2 -","- C304 H272 Cl16 Ir8 N8 P16 -","8","0.5","","Liu, Chong; Xie, Jian-Hua; Tian, Gui-Long; Li, Wei; Zhou, Qi-Lin","Highly efficient hydrogenation of carbon dioxide to formate catalyzed by iridium(iii) complexes of imine‒diphosphine ligands","Chem. Sci.","2015","6","5","2928","","10.1039/C5SC00248F","","","0.71073","MoKα","","0.0988","0.0719","","","0.2005","0.2174","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521099","5.6","","5.98","","5.998","","90","","90","","90","","200.861","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","","","- Ag N3 -","- Ag N3 -","- Ag4 N12 -","4","0.25","","Guo, G.-C.; Wang, Q.-M.; Mak, T. C. W.","Structure refinement and Raman spectrum of silver azide","Journal of Chemical Crystallography","1999","29","5","561","564","10.1023/A:1009544702195","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521510","5.4283","","10.7274","","19.9805","","90","","90","","90","","1163.49","","","","","","","","","","","","","5","I b a m","-I 2 2c","72","","Y2 Sr Cu0.6 Co1.4 O6.5","","- Co1.4 Cu0.6 O6.5 Sr Y2 -","- Co1.4 Cu0.6 O6.5 Sr Y2 -","- Co11.2 Cu4.8 O52 Sr8 Y16 -","8","0.5","","Li, R.-K.; Kremer, R.; Maier, J.","The structure and weak ferromagnetism of the double layered cuprocobaltate : Y2 Sr Cu0.6 Co1.4 O6.5","Journal of Solid State Chemistry","1999","146","","488","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521662","6.667","","13.01","","15.39","","90","","90","","90","","1334.89","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Cs2 Cd3 Te4","","- Cd3 Cs2 Te4 -","- Cd3 Cs2 Te4 -","- Cd12 Cs8 Te16 -","4","0.25","","Narducci, A.A.; Ibers, J.A.","Syntheses, crystal structures, and band gaps of Cs2 Cd3 Te4 and Rb2 Cd3 Te4","Journal of Alloys Compd.","2000","306","","170","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","141875","2020-10-21","18:00:00",""
"1521906","13.724","","10.579","","8.499","","90","","90","","90","","1233.94","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Cs2 (Pd2 Cl6)","","- Cl6 Cs2 Pd2 -","- Cl6 Cs2 Pd2 -","- Cl24 Cs8 Pd8 -","4","0.25","","Schuepp, B.; Keller, H.L.","Cs Pd Cl3 - eine Verbindung mit (Pd2 Cl6)-Baugruppen und anorganischem Kation","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1944","1950","","","","","","","","","","","","","","","","","","","","","","has coordinates","142123","2020-10-21","18:00:00",""
"1522192","10.953","","5.441","","8.169","","90","","90","","90","","486.834","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","","","- Pt5 Ti3 -","- Pt5 Ti3 -","- Pt20 Ti12 -","4","0.25","","Krautwasser, P.; Bhan, S.; Schubert, K.","Strukturuntersuchungen in den Systemen Ti-Pd und Ti-Pt","Zeitschrift fuer Metallkunde","1968","59","","724","729","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522852","13.708","","7.017","","6.02","","90","","90","","90","","579.058","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","","","- Ga2 Mg5 -","- Ga2 Mg5 -","- Ga8 Mg20 -","4","0.25","","Schubert, K.; Raman, A.; Frank, K.; Meissner, H.G.; Gohle, R.; Maldonado, A.; Rossteutscher, W.","Einige Strukturdaten metallischer Phasen (VIII)","Naturwissenschaften","1963","50","","41","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523037","10.764","","12.912","","6.365","","90","","90","","90","","884.638","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","","","- La2 Rh3 Sn5 -","- La2 Rh3 Sn5 -","- La8 Rh12 Sn20 -","4","0.25","","Venturini, G.; Malaman, B.; Roques, B.","Evolution des coordinations dans les structures d'isotypes de U2 Co3 Si5: R2 T3 X5 (R= La, Y; T= Ru, Rh, Ir; X= Si, Ge, Sn)","Journal of the Less-Common Metals","1989","152","","51","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526848","5.285","","9.807","","5.227","","90","","90","","90","","270.915","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","","","- Be Cl2 -","- Be Cl2 -","- Be4 Cl8 -","4","0.25","","Troyanov, S.I.","Crystal modifications of beryllium dihalides Be Cl2, Be Br2 and Be I2","Zhurnal Neorganicheskoi Khimii","2000","45","","1619","1624","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526850","5.569","","10.405","","5.543","","90","","90","","90","","321.192","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","","","- Be Br2 -","- Be Br2 -","- Be4 Br8 -","4","0.25","","Troyanov, S.I.","Crystal modifications of beryllium dihalides Be Cl2, Be Br2 and Be I2","Zhurnal Neorganicheskoi Khimii","2000","45","","1619","1624","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526852","6.025","","11.316","","6.035","","90","","90","","90","","411.46","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","","","- Be I2 -","- Be I2 -","- Be4 I8 -","4","0.25","","Troyanov, S.I.","Crystal modifications of beryllium dihalides Be Cl2, Be Br2 and Be I2","Zhurnal Neorganicheskoi Khimii","2000","45","","1619","1624","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528657","10.1428","","9.1579","","7.4485","","90","","90","","90","","691.867","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","(N H4) C O2 N H2","","- C H6 N2 O2 -","- C H6 N2 O2 -","- C8 H48 N16 O16 -","8","0.5","","Kuhn, N.; Stroebele, M.; Meyer, H.J.","Ueber die Identitaet eines sogenannten Ammoniumcarbonat-Praeparates","Zeitschrift fuer Anorganische und Allgemeine Chemie","2007","633","","653","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528854","5.46","","10.9","","5.92","","90","","90","","90","","352.323","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Na3 (Ag O2)","","- Ag Na3 O2 -","- Ag Na3 O2 -","- Ag4 Na12 O8 -","4","0.25","","Schenk, F.; Hoppe, R.","Ueber Oxoargentate(I): Na3 Ag O2","Naturwissenschaften","1969","56","","414","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531692","9.089","","5.272","","8.145","","90","","90","","90","","390.286","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","La Ni2 (Ni2.25 Pt0.75) D2.58","","- D2.58 La Ni4.25 Pt0.75 -","- D2.574 La Ni4.25 Pt0.75 -","- D10.296 La4 Ni17 Pt3 -","4","0.25","","Joubert, J.M.; Percheron-Guegan, A.; Charlton, J.","Investigation of structural and hydrogen absorption properties in the (La Ni5-x Ptx) - H2 system","Journal of Solid State Chemistry","2003","173","","379","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532625","7.6354","","16.125","","5.0008","","90","","90","","90","","615.703","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Zr2 Cr4 Si5","","- Cr4 Si5 Zr2 -","- Cr4 Si5 Zr2 -","- Cr16 Si20 Zr8 -","4","0.25","","Crerar, S.J.; Mar, A.","Ternary silicides M2 Cr4 Si5 (M= Ti, Zr, Hf): filled variants of the Ta4 Si Te4 structure type","Journal of Solid State Chemistry","2004","177","","2523","2529","","","","","","","","","","","","","","","","","","","","","","has coordinates","158574","2020-10-21","18:00:00",""
"1534022","11.5643","","14.3959","","17.034","","90","","90","","90","","2835.79","","","","","","","","","","","","","6","I b a m","-I 2 2c","72","","Na2 (Br8 (Mo (N3))6) (H2 O)2","","- Br8 H4 Mo6 N18 Na2 O2 -","- Br8 Mo6 N18 Na2 O2 -","- Br32 Mo24 N72 Na8 O8 -","4","0.25","","Pilet, G.; Cordier, S.; Ouahab, L.; Golhen, S.; Perrin, C.; Perrin, A.","Syntheses and structures of two new M6 L(i)8 (N3)(a)6 cluster unit based compounds: Cs4 Re6 S8 (N3)6 * (H2 O) and Na2 Mo6 Br8 (N3)6 * 2(H2 O)","Solid State Sciences","2003","5","","1263","1270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534916","15.647","","14.989","","7.081","","90","","90","","90","","1660.73","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","Na4 (Ti O) (P O4)2","","- Na4 O9 P2 Ti -","- Na4 O9 P2 Ti -","- Na32 O72 P16 Ti8 -","8","0.5","","Maksimov, B.A.; Timofeeva, V.A.; Verin, I.A.; Klokova, N.E.","Atomic structure of crystals of the superionic conductor Na4 Ti P2 O9","Kristallografiya","1990","35","","847","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534919","15.52","","14.82","","7.119","","90","","90","","90","","1637.42","","","","","","","","","","","","","5","I b a m","-I 2 2c","72","","Na4.53 Fe (P O4)2 (O.5 F.5)","","- F0.5 Fe Na4.53 O8.5 P2 -","- F0.5 Fe Na4.53 O8.5 P2 -","- F4 Fe8 Na36.24 O68 P16 -","8","0.5","","Maksimov, B.A.; Klokova, N.E.; Radaev, S.F.; Simonov, V.I.","Refinement of the atomic structure of ionic conductor Na4+x Fe P2 O8+x F1-x.","Kristallografiya","1992","37","","1143","1151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534923","15.645","","14.866","","7.144","","90","","90","","90","","1661.54","","","","","","","","","","","","","5","I b a m","-I 2 2c","72","","Na8.81 Fe2 O F (P O4)4","","- F Fe2 Na8.81 O17 P4 -","- F Fe2 Na8.812 O17 P4 -","- F2 Fe4 Na17.624 O34 P8 -","2","0.125","","Maksimov, B.A.; Simonov, V.I.; Klokova, N.E.; Tamazyan, R.A.; Petrzhichek, V.; Popov, A.N.","Incommensurate modulation in the structure of Na9(Fe2(PO4)4(O,F)2) at 623 K.","Kristallografiya","1992","37","","1152","1163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536313","10.4293","","11.8522","","7.8324","","90","","90","","90","","968.164","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Hg2 (Se O3)","","- Hg2 O3 Se -","- Hg2 O3 Se -","- Hg16 O24 Se8 -","8","0.5","","Weil, M.","Polymorphism in mercury(I) selenite(IV): preparation, crystal structures of alpha-, beta- and gamma-(Hg2 Se O3) and thermal behaviour of the alpha- and beta-modification","Journal of Solid State Chemistry","2003","172","","35","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536390","8.066","","9.248","","12.465","","90","","90","","90","","929.819","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","La Ni7.36 In5.64","","- In5.64 La Ni7.36 -","- In5.64 La Ni7.36 -","- In22.56 La4 Ni29.44 -","4","0.25","","Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.","New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4","Chemistry - A European Journal","2001","7","","5343","5349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536855","5.397","","10.587","","13.313","","90","","90","","90","","760.679","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Tl2 Fe3 S4","","- Fe3 S4 Tl2 -","- Fe3 S4 Tl2 -","- Fe12 S16 Tl8 -","4","0.25","","Zabel, M.; Range, K.J.","Struktur und Phasenumwandlugen von Tl2 Fe3 S4","Revue de Chimie Minerale","1980","17","","561","568","","","","","","","","","","","","","","","","","","","","","","has coordinates","164742","2020-10-21","18:00:00",""
"1537421","17.978","","5.189","","4.978","","90","","90","","90","","464.387","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Li Bi O2","","- Bi Li O2 -","- Bi Li O2 -","- Bi8 Li8 O16 -","8","0.5","","Hoppe, R.; Schwedes, B.","Zur Kristallstruktur von Li Bi O2","Revue de Chimie Minerale","1971","8","","583","590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539883","5.94","","11.49","","14.169","","90","","90","","90","","967.043","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Cs2 Mn3 S4 -","- Cs2 Mn3 S4 -","- Cs8 Mn12 S16 -","4","0.25","","Bronger, W.; Hendriks, U.; Mueller, P.","Struktur und magnetische Eigenschaften von Cs2 Mn3 S4 und Cs2 Co3 S4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","559","","95","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539884","5.712","","11.231","","13.879","","90","","90","","90","","890.358","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Cs2 Co3 S4","","- Co3 Cs2 S4 -","- Co3 Cs2 S4 -","- Co12 Cs8 S16 -","4","0.25","","Bronger, W.; Hendriks, U.; Mueller, P.","Struktur und magnetische Eigenschaften von Cs2 Mn3 S4 und Cs2 Co3 S4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","559","","95","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","168965","2020-10-21","18:00:00",""
"1539885","5.855","","11.324","","13.944","","90","","90","","90","","924.515","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","Cs2 (Mn.57 Zn.43)3 S4","","- Cs2 Mn1.71 S4 Zn1.29 -","- Cs2 Mn1.75 S4 Zn1.25 -","- Cs8 Mn7 S16 Zn5 -","4","0.25","","Bronger, W.; Hendriks, U.; Mueller, P.","Struktur und magnetische Eigenschaften von Cs2 Mn3 S4 und Cs2 Co3 S4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","559","","95","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","168966","2020-10-21","18:00:00",""
"1539891","6.932","","12.636","","6.179","","90","","90","","90","","541.236","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","K2 (Mn S2)","","- K2 Mn S2 -","- K2 Mn S2 -","- K8 Mn4 S8 -","4","0.25","","Bronger, W.; Balk-Hardtdegen, H.; Schmitz, D.","Ueber Alkalimetallmanganchalkogenide A2 Mn X2 mit A = K, Rb oder Cs und X = S, Se oder Te","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539892","7.119","","13.14","","6.295","","90","","90","","90","","588.857","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Rb2 (Mn S2)","","- Mn Rb2 S2 -","- Mn Rb2 S2 -","- Mn4 Rb8 S8 -","4","0.25","","Bronger, W.; Balk-Hardtdegen, H.; Schmitz, D.","Ueber Alkalimetallmanganchalkogenide A2 Mn X2 mit A = K, Rb oder Cs und X = S, Se oder Te","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539893","7.589","","13.781","","6.414","","90","","90","","90","","670.802","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Cs2 (Mn S2)","","- Cs2 Mn S2 -","- Cs2 Mn S2 -","- Cs8 Mn4 S8 -","4","0.25","","Bronger, W.; Balk-Hardtdegen, H.; Schmitz, D.","Ueber Alkalimetallmanganchalkogenide A2 Mn X2 mit A = K, Rb oder Cs und X = S, Se oder Te","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539894","7.166","","13.193","","6.44","","90","","90","","90","","608.844","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","K2 (Mn Se2)","","- K2 Mn Se2 -","- K2 Mn Se2 -","- K8 Mn4 Se8 -","4","0.25","","Bronger, W.; Schmitz, D.; Balk-Hardtdegen, H.","Ueber Alkalimetallmanganchalkogenide A2 Mn X2 mit A = K, Rb oder Cs und X = S, Se oder Te","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539895","7.352","","13.711","","6.574","","90","","90","","90","","662.681","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Rb2 (Mn Se2)","","- Mn Rb2 Se2 -","- Mn Rb2 Se2 -","- Mn4 Rb8 Se8 -","4","0.25","","Bronger, W.; Balk-Hardtdegen, H.; Schmitz, D.","Ueber Alkalimetallmanganchalkogenide A2 Mn X2 mit A = K, Rb oder Cs und X = S, Se oder Te","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539896","7.589","","14.323","","6.684","","90","","90","","90","","726.532","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Cs2 (Mn Se2)","","- Cs2 Mn Se2 -","- Cs2 Mn Se2 -","- Cs8 Mn4 Se8 -","4","0.25","","Bronger, W.; Balk-Hardtdegen, H.; Schmitz, D.","Ueber Alkalimetallmanganchalkogenide A2 Mn X2 mit A = K, Rb oder Cs und X = S, Se oder Te","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539897","7.478","","14.105","","6.873","","90","","90","","90","","724.945","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","K2 (Mn Te2)","","- K2 Mn Te2 -","- K2 Mn Te2 -","- K8 Mn4 Te8 -","4","0.25","","Bronger, W.; Balk-Hardtdegen, H.; Schmitz, D.","Ueber Alkalimetallmanganchalkogenide A2 Mn X2 mit A = K, Rb oder Cs und X = S, Se oder Te","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539898","7.667","","14.571","","6.996","","90","","90","","90","","781.564","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Rb2 (Mn Te2)","","- Mn Rb2 Te2 -","- Mn Rb2 Te2 -","- Mn4 Rb8 Te8 -","4","0.25","","Bronger, W.; Balk-Hardtdegen, H.; Schmitz, D.","Ueber Alkalimetallmanganchalkogenide A2 Mn X2 mit A = K, Rb oder Cs und X = S, Se oder Te","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539899","7.963","","15.198","","7.139","","90","","90","","90","","863.974","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Cs2 (Mn Te2)","","- Cs2 Mn Te2 -","- Cs2 Mn Te2 -","- Cs8 Mn4 Te8 -","4","0.25","","Bronger, W.; Schmitz, D.; Balk-Hardtdegen, H.","Ueber Alkalimetallmanganchalkogenide A2 Mn X2 mit A = K, Rb oder Cs und X = S, Se oder Te","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539997","10.90386","","7.27736","","6.85289","","90","","90","","90","","543.786","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Ta2 O5 (H2 O)0.667","","- H1.334 O5.667 Ta2 -","- O5.67467 Ta2 -","- O34.048 Ta12 -","6","0.375","","Zibrov, I.P.; Filonenko, V.P.; Drobot, D.V.; Nikishina, E.E.","Structure of high-pressure hydroxide Ta2 O5 2/3(H2 O) and a derivative metastable oxide Ta2 O5","Zhurnal Neorganicheskoi Khimii","2003","48","","543","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","169128","2020-10-21","18:00:00",""
"1539998","10.45462","","7.34852","","6.95755","","90","","90","","90","","534.521","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Ta2 O5","","- O5 Ta2 -","- O5 Ta2 -","- O30 Ta12 -","6","0.375","","Zibrov, I.P.; Drobot, D.V.; Filonenko, V.P.; Nikishina, E.E.","Structure of high-pressure hydroxide Ta2 O5 2/3(H2 O) and a derivative metastable oxide Ta2 O5","Zhurnal Neorganicheskoi Khimii","2003","48","","543","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","169129","2020-10-21","18:00:00",""
"1540992","9.082","","4.16","","7.707","","90","","90","","90","","291.179","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","","","- Be H2 -","- Be H2 -","- Be12 H24 -","12","0.75","","Smith, G.S.; Cox, D.E.; Johnson, Q.C.; Smith, D.K.; Snyder, R.L.; Zhou, R.-S.; Zalkin, A.","The crystal and molecular structure of beryllium hydride","Solid State Communications","1988","67","","491","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542169","11.888","","6.185","","11.746","","90","","90","","90","","863.651","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Hg (Hg O)4 Br2","","- Br2 Hg5 O4 -","- Br2 Hg5 O4 -","- Br8 Hg20 O16 -","4","0.25","","Aurivillius, K.","Least-squares refinement of the crystal structure of Hg (O Hg)4 Br2","Arkiv foer Kemi","1968","28","","279","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","174197","2020-10-21","18:00:00",""
"1542861","6.4005","0.0006","26.426","0.003","35.016","0.003","90","","90","","90","","5922.6","1","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C24 H20 Ag F3 N6 O11 -","- C24 H20 Ag F3 N6 O11 -","- C192 H160 Ag8 F24 N48 O88 -","8","0.5","","Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong","Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution","IUCrJ","2014","1","5","318","327","10.1107/S2052252514015966","","","0.71073","MoKα","","0.1297","0.0907","","","0.1745","0.1991","","","","","","1.117","","","","has coordinates,has disorder","178188","2020-10-21","18:00:00",""
"1544675","8.496","0.002","9.983","0.002","16.755","0.003","90","","90","","90","","1421.1","0.5","","","","","","","","","","","","5","I b a m","-I 2 2c","72","BaNa2Al4Si4O16","","banalsite","- Al4 Ba Na2 O16 Si4 -","- Al4 Ba Na2 O16 Si4 -","- Al16 Ba4 Na8 O64 Si16 -","4","0.25","","Haga, N.","The crystal structure of banalsite, BaNa2Al4Si4O16, and its relation to the feldspar structure","Mineralogical Journal","1973","7","","262","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","188704","2020-10-21","18:00:00",""
"1545872","7.716","0.004","10.006","0.006","10.897","0.006","90","","90","","90","","841.3","0.8","","","293","","","","","","","","","3","I b a m","-I 2 2c","72","","","","- F11 Pr Zr2 -","- F11 Pr Zr2 -","- F44 Pr4 Zr8 -","4","0.25","","Laval, J P; Abaouz, A","Crystal chemistry of anion-excess ReO3-related phases II; Crystal structure of PrZr2F11","Journal of Solid State Chemistry","1992","100","","90","100","10.1016/0022-4596(92)90158-R","","x-ray","0.71069","MoKα","","","0.031","","","0.031","","","","","","","","","","","has coordinates","195749","2020-10-21","18:00:00",""
"1548929","20.5269","0.0014","21.5497","0.0014","34.938","0.003","90","","90","","90","","15455","2","150","2","150","2","","","","","","","synthesized by the authors","7","I b a m","-I 2 2c","72","","","","- C49 H44 Br2 Cl2 F22 N2 Ni -","- C49 H44 Br2 Cl2 F22 N2 Ni -","- C392 H352 Br16 Cl16 F176 N16 Ni8 -","8","0.5","","Mundil, Robert; Sokolohorskyj, Anatolij; Hošek, Jan; Cvačka, Josef; Císařová, Ivana; Kvíčala, Jaroslav; Merna, Jan","Nickel and palladium complexes with fluorinated alkyl substituted α-diimine ligands for living/controlled olefin polymerization","Polymer Chemistry","2018","9","10","1234","","10.1039/C8PY00201K","","","0.71073","MoKα","","0.0853","0.0591","","","0.167","0.1935","","","","","","1.092","","","","has coordinates","230951","2020-10-21","18:00:00",""
"1550689","23.5746","0.0011","18.8529","0.0006","22.1333","0.0006","90","","90","","90","","9837.1","0.6","296","2","296","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C49 H62 B11 N -","- C49 H62 B11 N -","- C392 H496 B88 N8 -","8","0.5","","Shen, Yunjun; Zhang, Kang; Liang, Xuewei; Dontha, Rakesh; Duttwyler, Simon","Highly selective palladium-catalyzed one-pot, five-fold B‒H/C‒H cross coupling of monocarboranes with alkenes","Chemical Science","2019","","","","","10.1039/C9SC00078J","","","1.34139","GaKα","","0.1178","0.0839","","","0.2304","0.2591","","","","","","1.037","","","","has coordinates,has disorder","213941","2020-10-21","18:00:00",""
"1552167","28.14","0.003","40.411","0.003","83.201","0.009","90","","90","","90","","94613","16","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C19.46 H9.44 La0.57 O5.49 S2.29 -","- C19.4633 H9.444 La0.566929 O5.48659 S2.29086 -","- C2179.89 H1057.73 La63.496 O614.498 S256.576 -","112","7","","Xie, Lilia S.; Alexandrov, Eugeny V.; Skorupskii, Grigorii; Proserpio, Davide M.; Dincă, Mircea","Diverse π‒π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal‒organic frameworks","Chemical Science","2019","","","","","10.1039/C9SC03348C","","","1.54178","CuKα","","0.1535","0.1142","","","0.3327","0.3654","","","","","","1.332","","","","has coordinates,has disorder","217458","2020-10-21","18:00:00",""
"1556530","9.602","0.0007","18.9796","0.0014","23.8123","0.0018","90","","90","","90","","4339.6","0.6","173","0.2","173","0.2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C50 H32 Fe N6 S2 -","- C50 H32 Fe N6 S2 -","- C200 H128 Fe4 N24 S8 -","4","0.25","","Iwai, S.; Yoshinami, K.; Nakashima, S.","Structure and Spin State of Iron(II) Assembled Complexes Using 9,10-Bis(4-pyridyl)anthracene as Bridging Ligand","Inorganics","2017","5","","61","","10.3390/inorganics5030061","","","0.71073","MoKa","","0.0711","0.0597","","","0.1666","0.1786","","","","","","0.907","","","","has coordinates","245018","2020-10-21","18:00:00",""
"1561339","10.4206","0.0004","11.1146","0.0005","8.2424","0.0003","90","","90","","90","","954.64","0.07","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C2 H4 Hg4 O6 P2 -","- C2 H4 Hg4 O6 P2 -","- C8 H16 Hg16 O24 P8 -","4","0.25","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.0514","0.0376","","","0.0857","0.0918","","","","","","1.094","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1562017","10.007","0.002","11.666","0.002","6.0011","0.0012","90","","90","","90","","700.6","0.2","293","2","293","2","","","","","","","","3","I b a m","-I 2 2c","72","Eu2Pt3Si5","","","- Eu2 Pt3 Si5 -","- Eu2 Pt3 Si5 -","- Eu8 Pt12 Si20 -","4","0.25","","Sarkar, Sumanta; Subbarao, Udumula; Joseph, Boby; Peter, Sebastian C.","Mixed valence and metamagnetism in a metal flux grown compound Eu2Pt3Si5","Journal of Solid State Chemistry","2015","225","","181","186","10.1016/j.jssc.2014.12.023","","","0.71073","MoKα","","0.027","0.0249","","","0.0547","0.084","","","","","","1.475","","","","has coordinates","264452","2021-04-23","08:06:52",""
"1562613","10.88124","0.00011","7.26808","0.00007","6.84922","0.00006","90","","90","","90","","541.676","0.009","298","2","298","","","","","","","","","3","I b a m","-I 2 2c","72","Europium Tantalate Hydrate","","","- Eu0.13 O8.41 Ta3 -","- Eu0.1342 O8.415 Ta3 -","- Eu0.5368 O33.66 Ta12 -","4","0.25","","Zibrov, Igor P.; Filonenko, Vladimir P.; Zakharov, Nikolai D.; Werner, Peter; Drobot, Dmitrii V.; Nikishina, Elena E.; Lebedeva, Elena N.","New high pressure rare earth tantalates RExTa2O5+1.5x (RE=La, Eu, Yb)","Journal of Solid State Chemistry","2013","203","","240","246","10.1016/j.jssc.2013.03.057","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.05574","","5.43","","","","","","","has coordinates","265278","2021-05-17","09:33:57",""
"1562614","10.41815","0.00026","7.26845","0.00014","6.98322","0.00012","90","","90","","90","","528.796","0.019","298","2","298","","","","","","","","","3","I b a m","-I 2 2c","72","Europium Tantalate","","","- Eu0.13 O8 Ta3 -","- Eu0.1342 O8 Ta3 -","- Eu0.5368 O32 Ta12 -","4","0.25","","Zibrov, Igor P.; Filonenko, Vladimir P.; Zakharov, Nikolai D.; Werner, Peter; Drobot, Dmitrii V.; Nikishina, Elena E.; Lebedeva, Elena N.","New high pressure rare earth tantalates RExTa2O5+1.5x (RE=La, Eu, Yb)","Journal of Solid State Chemistry","2013","203","","240","246","10.1016/j.jssc.2013.03.057","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.13801","","1.26","","","","","","","has coordinates","265279","2021-05-17","09:38:02",""
"1562615","10.87288","0.00011","7.2611","0.00007","6.84009","0.00005","90","","90","","90","","540.019","0.009","298","2","298","","","","","","","","","3","I b a m","-I 2 2c","72","Lanthanum Tantalate Hydrate","","","- La0.11 O8.7 Ta3 -","- La0.1132 O8.7 Ta3 -","- La0.4528 O34.8 Ta12 -","4","0.25","","Zibrov, Igor P.; Filonenko, Vladimir P.; Zakharov, Nikolai D.; Werner, Peter; Drobot, Dmitrii V.; Nikishina, Elena E.; Lebedeva, Elena N.","New high pressure rare earth tantalates RExTa2O5+1.5x (RE=La, Eu, Yb)","Journal of Solid State Chemistry","2013","203","","240","246","10.1016/j.jssc.2013.03.057","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.06299","","1.65","","","","","","","has coordinates","265280","2021-05-17","09:41:11",""
"1562616","10.50988","0.00019","7.26785","0.00012","6.9765","0.00009","90","","90","","90","","532.895","0.015","298","2","298","","","","","","","","","3","I b a m","-I 2 2c","72","Lanthanum Tantalate","","","- La0.11 O8 Ta3 -","- La0.113 O8 Ta3 -","- La0.452 O32 Ta12 -","4","0.25","","Zibrov, Igor P.; Filonenko, Vladimir P.; Zakharov, Nikolai D.; Werner, Peter; Drobot, Dmitrii V.; Nikishina, Elena E.; Lebedeva, Elena N.","New high pressure rare earth tantalates RExTa2O5+1.5x (RE=La, Eu, Yb)","Journal of Solid State Chemistry","2013","203","","240","246","10.1016/j.jssc.2013.03.057","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.09168","","2.7","","","","","","","has coordinates","265281","2021-05-17","09:44:37",""
"1562617","10.90564","0.0001","7.27511","0.00006","6.85526","0.00005","90","","90","","90","","543.894","0.008","298","2","298","","","","","","","","","3","I b a m","-I 2 2c","72","Ytterbium Tantalate Hydrate","","","- O8.45 Ta3 Yb0.08 -","- O8.45 Ta3 Yb0.077 -","- O33.8 Ta12 Yb0.308 -","4","0.25","","Zibrov, Igor P.; Filonenko, Vladimir P.; Zakharov, Nikolai D.; Werner, Peter; Drobot, Dmitrii V.; Nikishina, Elena E.; Lebedeva, Elena N.","New high pressure rare earth tantalates RExTa2O5+1.5x (RE=La, Eu, Yb)","Journal of Solid State Chemistry","2013","203","","240","246","10.1016/j.jssc.2013.03.057","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.06546","","2.53","","","","","","","has coordinates","265282","2021-05-17","09:47:40",""
"1562618","10.45571","0.0002","7.38526","0.00013","6.89231","0.0001","90","","90","","90","","532.211","0.016","298","2","298","","","","","","","","","3","I b a m","-I 2 2c","72","Ytterbium Tantalate","","","- O8 Ta3 Yb0.08 -","- O8 Ta3 Yb0.077 -","- O32 Ta12 Yb0.308 -","4","0.25","","Zibrov, Igor P.; Filonenko, Vladimir P.; Zakharov, Nikolai D.; Werner, Peter; Drobot, Dmitrii V.; Nikishina, Elena E.; Lebedeva, Elena N.","New high pressure rare earth tantalates RExTa2O5+1.5x (RE=La, Eu, Yb)","Journal of Solid State Chemistry","2013","203","","240","246","10.1016/j.jssc.2013.03.057","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.09022","","1.38","","","","","","","has coordinates","265283","2021-05-17","09:50:48",""
"1563654","9.9118","0.0002","11.7558","0.0003","5.8313","0.0001","90","","90","","90","","679.47","0.02","298","2","298","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Ce2 Rh3 Si5 -","- Ce2.04 Rh2.91 Si5.14 -","- Ce8.16 Rh11.64 Si20.56 -","4","0.25","","Lipatov, Alexey; Gribanov, Alexander; Grytsiv, Andriy; Safronov, Sergey; Rogl, Peter; Rousnyak, Julia; Seropegin, Yurii; Giester, Gerald","The ternary system cerium‒rhodium‒silicon","Journal of Solid State Chemistry","2010","183","4","829","843","10.1016/j.jssc.2010.01.029","","","0.71069","MoKα","","0.0273","0.0258","","","0.0635","0.0646","","","","","","0.891","","","","has coordinates","266635","2021-06-23","09:01:56",""
"1564698","9.9733","0.0006","23.7417","0.0016","6.7824","0.0004","90","","90","","90","","1605.96","0.17","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C20 H10 Na8 O21 S8 -","- C20 Na8 O21 S8 -","- C40 Na16 O42 S16 -","2","0.125","","Zhang, Shiyu; Panda, Dillip K.; Yadav, Ashok; Zhou, Wei; Saha, Sourav","Effects of intervalence charge transfer interaction between π-stacked mixed valent tetrathiafulvalene ligands on the electrical conductivity of 3D metal‒organic frameworks","Chemical Science","2021","","","","","10.1039/D1SC04338B","","","0.71073","MoKα","","0.0417","0.038","","","0.1007","0.1041","","","","","","1.155","","","","has coordinates","269221","2021-09-20","22:16:16",""
"1568457","35.828","0.002","18.4081","0.0009","6.6356","0.0003","90","","90","","90","","4376.3","0.4","150.15","","150.15","","","","","","","","","5","I b a m","-I 2 2c","72","","Cyano[acetyl 3,5-di(2-pyridyl)phenyl]platinum","","- C19 H13 N3 O8 Pt -","- C19 H13 N3 O8 Pt -","- C152 H104 N24 O64 Pt8 -","8","0.5","","Bryant, Mathew J.; Fuertes, Sara; Hatcher, Lauren E.; Thomas, Lynne H.; Raithby, Paul R.","Structural modifications to platinum(II) pincer complexes resulting in changes in their vapochromic and solvatochromic properties.","Faraday discussions","2023","244","0","411","433","10.1039/d3fd00025g","","","1.54184","CuKα","","0.1065","0.0813","","","0.2449","0.275","","","","","","1.066","","","","has coordinates,has disorder","286130","2023-09-05","19:54:16",""
"1571262","13.1931","","13.214","","6.213","","90","","90","","90","","1083.14","","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","1-methyluracil","","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","OF5004","Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria","Dynamical refinement with multipolar electron scattering factors.","IUCrJ","2024","11","3","","","10.1107/S2052252524001763","","electron","0.0251","electron","","0.1355","0.0953","","","0.1001","0.1032","","","","0","0","2.8854","","","","has coordinates","290612","2024-03-23","03:14:56",""
"1571263","13.1931","","13.214","","6.213","","90","","90","","90","","1083.14","","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","1-methyluracil","","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","OF5004","Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria","Dynamical refinement with multipolar electron scattering factors.","IUCrJ","2024","11","3","","","10.1107/S2052252524001763","","electron","0.0251","electron","","0.1273","0.0892","","","0.0959","0.0988","","","","0","0","2.76","","","","has coordinates","290612","2024-03-23","03:14:57",""
"1571264","13.1931","","13.214","","6.213","","90","","90","","90","","1083.14","","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","1-methyluracil","","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","OF5004","Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria","Dynamical refinement with multipolar electron scattering factors.","IUCrJ","2024","11","3","","","10.1107/S2052252524001763","","electron","0.0251","electron","","0.1257","0.0875","","","0.094","0.097","","","","0","0","2.7109","","","","has coordinates","290612","2024-03-23","03:14:57",""
"2000428","9.263","0.002","14.317","0.003","11.036","0.005","90","","90","","90","","1463.6","0.8","","","","","","","","","","","","7","I b a m","","","","","","- C8 H36 Br2 N8 O16 Pt2 S4 -","- C8 H40 Br4 N8 O16 Pt2 S4 -","- C16 H80 Br8 N16 O32 Pt4 S8 -","2","0.125","AS0571","Matsushita, N.; Taga, T.; Tsujikawa, I.","Structure of a one-dimensional Br-bridged Pt^II^-Pt^IV^ mixed-valence complex, <i>catena</i>-poly[bis(ethylenediamine)platinum(II,IV)-μ-bromo bis(hydrogensulfate)]","Acta Crystallographica Section C","1992","48","11","1936","1939","10.1107/S0108270192003457","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001100","12.795","0.002","13.178","0.002","11.092","0.002","90","","90","","90","","1870.2","0.5","","","","","","","","","","","","3","I b a m","-I 2 2c","","","","","- C10 H14 O3 -","- C10 H13 O3 -","- C80 H104 O24 -","8","0.5","CR0251","Thompson, H. W.; Lalancette, R. A.; Vanderhoff, P. A.","9-Oxobicyclo[3.3.1]nonane-1-carboxylic acid: structure and hydrogen-bonding pattern","Acta Crystallographica Section C","1992","48","1","66","70","10.1107/S010827019100330X","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001645","14.597","0.005","13.153","0.005","6.584","0.003","90","","90","","90","","1264.1","0.9","298","","","","","","","","","","","4","I b a m","-I 2 2c","","","","","- C5 H4 N4 S -","- C5 H4 N4 S -","- C40 H32 N32 S8 -","8","0.5","CR1037","Singh, P.; Pedersen, L. G.","Orthorhombic form of thiopurinol: 1,5-dihydro-4<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4-thione","Acta Crystallographica Section C","1993","49","6","1211","1215","10.1107/S0108270192013453","","","0.71073","MoKα","","","0.043","","","0.06","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003935","8.889","0.001","19.274","0.002","6.177","0.002","90","","90","","90","","1058.3","0.4","293","2","293","2","","","","","","","Palenzona & Manfrinetti (1995)","2","I b a m","-I 2 2c","","","","","- Pb5 Sc6 -","- Pb5 Sc6 -","- Pb20 Sc24 -","4","0.25","NA1161","Pani, M.; Manfrinetti, P.; Fornasini, M. L.","Two New Scandium Phases: ScSn~2~ and Sc~6~Pb~5~","Acta Crystallographica Section C","1995","51","9","1725","1728","10.1107/S0108270195003301","","","0.7107","MoKα","","0.08","0.054","","0.146","0.139","","","","0.92","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006421","6.454","0.002","12.752","0.004","15.387","0.005","90","","90","","90","","1266.4","0.7","108","2","","","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Cs2 Mn3 Te4 -","- Cs2 Mn3 Te4 -","- Cs8 Mn12 Te16 -","4","0.25","OH1099","Wu, Eric J.; Ibers, James A.","Cs~2~Mn~3~Te~4~","Acta Crystallographica Section C","1997","53","8","993","994","10.1107/S010827019700098X","","","0.71073","MoKα","","","0.0339","","","0.0815","","","","","1.266","1.266","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008185","9.952","0.002","11.767","0.002","6.206","0.002","90","","90","","90","","726.8","0.3","125","2","125","2","","","","","","","","3","I b a m","-I 2 2c","72","","2-Propenoic Acid","","- C3 H4 O2 -","- C3 H4 O2 -","- C24 H32 O16 -","8","0.5","","Boese, R.; Bläser, D.; Steller, I.; Latz, R.; Bäumen, A.","Redetermination of 2-propenoic acid at 125K","Acta Crystallographica Section C","1999","55","2","IUC9900006","","10.1107/S0108270199099850","","","0.71073","MoKα","","0.05","0.04","","","","0.118","","","","","","1.074","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009047","10.669","0.005","18.479","0.006","7.28","0.006","90","","90","","90","","1435.3","1.4","295","","","","","","","","","","","4","I b a m","-I 2 2c","72","","Ammonium hydrogen trans-1-propene-1,3-dicarboxylate","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C40 H72 N8 O32 -","8","0.5","OB1012","Taka, Jun-ichiro; Kashino, Setsuo","Sodium hydrogen <i>trans</i>-glutaconate and ammonium hydrogen <i>trans</i>-glutaconate","Acta Crystallographica Section C","1999","55","10","1620","1623","10.1107/S0108270199008458","","","0.71073","MoKα","","","0.077","","","","0.067","","","","","","1.51","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2011336","7.49","0.002","13.4","0.003","18.639","0.006","90","","90","","90","","1870.7","0.9","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","[Bis-Ethylendiamin-kupfer]bis-triiodid","[Bis-1,2-Diaminoethan-kupfer]bis-triiodid","","- C4 H16 Cu I6 N4 -","- C4 H16 Cu I6 N4 -","- C16 H64 Cu4 I24 N16 -","4","0.25","JZ1410","Wieczorrek, Carsten","Bis-Triiodide von 1,2-Ethandiaminkomplexen am Beispiel des Metalls Kupfer","Acta Crystallographica Section C","2000","56","9","1085","1087","10.1107/S0108270100008830","","","0.71073","MoKα","","0.0487","0.0391","","","","0.0906","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011621","11.331","0.003","10.183","0.002","9.962","0.002","90","","90","","90","","1149.5","0.4","296.2","","","","","","","","","","","3","I b a m","-I 2 2c","72","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","0.25","QA0384","Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro","1<i>H</i>,1'<i>H</i>-2,2'-Bibenzimidazole","Acta Crystallographica Section C","2000","56","12","e596","e597","10.1107/S0108270100014761","","","0.7107","MoKα","","","0.0425","","","","0.1274","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016177","16.144","0.0004","12.7191","0.0003","14.6859","0.0003","90","","90","","90","","3015.56","0.12","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","tetra-μ~2~-fluorido-tetradecafluoridotrizirconium(IV) hexahydrate","","- Co2 F18 H46 N10 O8 Zr3 -","- Co2 F18 H30 N10 O8 Zr3 -","- Co8 F72 H120 N40 O32 Zr12 -","4","0.25","BC3047","Gubanov, Alexander I.; Kuratieva, Natalia V.","Double complexes [Co(NH~3~)~5~(H~2~O)]~2~[Zr~3~F~18~]·6H~2~O and [Co(NH~3~)~6~]~2~[Zr~3~F~18~]·6H~2~O","Acta Crystallographica Section C","2007","63","10","i83","i85","10.1107/S010827010704108X","","","0.71073","MoKα","","0.0515","0.0473","","","0.107","0.1094","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2021145","18.1056","0.0012","19.9164","0.0013","21.8633","0.0014","90","","90","","90","","7883.9","0.9","150","2","150","2","","","","","","","","5","I b a m","-I 2 2c","72","","Poly[[(μ~2~-η^3^:η^2^-anthracenediyl)bis(η^6^-anthracenediyl)bis(η^5^-1,3-diphenylcyclopentadienyl)tetrakis(tetrahydrofuran)dipotassiumdiscandium(III)] tetrahydrofuran monosolvate]","","- C96 H96 K2 O5 Sc2 -","- C96 H96 K2 O5 Sc2 -","- C384 H384 K8 O20 Sc8 -","4","0.25","QF3011","Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Scandium complexes with the tetraphenylethylene and anthracene dianions","Acta Crystallographica Section C","2018","74","6","769","781","10.1107/S2053229618007295","","","0.71073","MoKα","","0.0863","0.055","","","0.1331","0.1503","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","208075","2020-10-21","18:00:00",""
"2022224","6.756","0.004","13.108","0.008","6.385","0.004","90","","90","","90","","565.4","0.6","200","","200","","","","","","","","","3","I b a m","-I 2 2c","72","","Dibarium zinc diphosphide","","- Ba2 P2 Zn -","- Ba2 P2 Zn -","- Ba8 P8 Zn4 -","4","0.25","OV3142","Balvanz, Adam; Baranets, Sviatoslav; Bobev, Svilen","Synthesis, structural characterization, and electronic structure of the novel Zintl phase Ba~2~ZnP~2~","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010827","","","0.71073","MoKα","","0.0216","0.0177","","","0.0357","0.0366","","","","","","1.039","","","","has coordinates,has Fobs","255237","2020-10-21","18:00:00",""
"2022913","19.1275","0.0007","9.4396","0.0013","18.9259","0.0017","90","","90","","90","","3417.2","0.6","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","Bis(pyrrolidinium) tetrabromidoaurate(III) bromide","","- C8 H20 Au Br5 N2 -","- C8 H20 Au Br5 N2 -","- C64 H160 Au8 Br40 N16 -","8","0.5","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.0504","0.034","","","0.0608","0.0652","","","","","","1.077","","","","has coordinates,has Fobs","288153","2023-12-07","11:53:11",""
"2102143","13.51","0.003","13.69","0.003","7.111","0.001","90","","90","","90","","1315.2","0.5","250","0.5","293","2","","","","","","","","3","I b a m","-I 2 2c","72","2-methyl-1,3-cyclohexanedione","","","- C7 H10 O2 -","- C7 H10 O2 -","- C56 H80 O16 -","8","0.5","HR0044","Katrusiak, A.","Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals","Acta Crystallographica Section B","2000","56","5","872","881","10.1107/S0108768100005905","","","0.71069","MoKα","","0.0666","0.0447","","0.1379","0.1307","","","","1.027","1.144","1.144","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102144","13.558","0.003","13.696","0.003","7.174","0.001","90","","90","","90","","1332.1","0.5","293","0.5","293","2","","","","","","","","3","I b a m","-I 2 2c","72","2-methyl-1,3-cyclohexanedione","","","- C7 H10 O2 -","- C7 H10 O2 -","- C56 H80 O16 -","8","0.5","HR0044","Katrusiak, A.","Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals","Acta Crystallographica Section B","2000","56","5","872","881","10.1107/S0108768100005905","","","0.71069","MoKα","","0.0466","0.0439","","0.1162","0.1119","","","","1.032","1.039","1.039","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103570","9.441","0.002","16.583","0.002","7.184","0.003","90","","90","","90","","1124.7","0.5","296.2","","296.2","","","","","","","","","4","I b a m","-I 2 2c","72","","2,3,7,8-tetrahydro-benzo[1,2-b:4,5-b']bis[1,4]dithiin-5,10-dione","","- C10 H8 O2 S4 -","- C10 H8 O2 S4 -","- C40 H32 O8 S16 -","4","0.25","OA0031","Matsumoto, Shinya; Mizuguchi, Jin","Structures of tetrathiabenzoquinone derivatives and the order‒disorder phase transition","Acta Crystallographica Section B","2001","57","1","82","87","10.1107/S0108768100014087","","","0.7107","MoKα","","0.0293","0.0293","","0.0501","","0.0501","","","1","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2106413","19.032","","12.051","","5.852","","90","","90","","90","","1342.18","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","La4 O3 (As S3)2","","- As2 La4 O3 S6 -","- As2 La4 O3 S6 -","- As8 La16 O12 S24 -","4","0.25","","Palazzi, M.; Jaulmes, S.","Structure d'un oxysulfure a deux cations d'un type nouveau: La4 O3 (As S3 2","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1340","1342","","","","","","","","","","","","","","","","","","","","","","has coordinates","149704","2020-10-21","18:00:00",""
"2107124","9.545","","5.564","","5.552","","90","","90","","90","","294.858","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Si S2","","- S2 Si -","- S2 Si -","- S8 Si4 -","4","0.25","","Peters, J.; Krebs, B.","Silicon disulphide and silicon diselenide: A reinvestigation","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1270","1272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107125","9.669","","5.998","","5.851","","90","","90","","90","","339.327","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Si Se2","","- Se2 Si -","- Se2 Si -","- Se8 Si4 -","4","0.25","","Peters, J.; Krebs, B.","Silicon disulphide and silicon diselenide: A reinvestigation","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1270","1272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108759","13.17921","0.00017","13.20059","0.00019","6.21502","0.00011","90","","90","","90","","1081.25","0.03","123","0.1","123","0.1","","","","","","","","4","I b a m","-I 2 2c","72","Methyluracil","1-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","","Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof","HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data","Acta Crystallographica Section B","2021","77","1","","","10.1107/S2052520620014936","","x-ray","1.54184","CuKα","","0.0347","0.0336","","","0.102","0.1042","","","","","","1.095","","","","has coordinates,has Fobs","261217","2021-01-26","05:42:13",""
"2108760","13.1643","0.0001","13.184","0.0002","6.2067","0.0002","90","","90","","90","","1077.22","0.04","123","","123","","","","","","","","","4","I b a m","-I 2 2c","72","Methyluracil","1-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","","Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof","HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data","Acta Crystallographica Section B","2021","77","1","","","10.1107/S2052520620014936","","x-ray","0.71073","MoKα","","0.0582","0.0444","","","0.1212","0.1294","","","","","","1.071","","","","has coordinates,has Fobs","261217","2021-01-26","05:42:14",""
"2200353","13.573","0.001","13.8717","0.0009","12.688","0.001","90","","90","","90","","2388.9","0.3","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","Triisopropylphosphine sulfide","Triisopropylphosphine sulfide","","- C9 H21 P S -","- C9 H21 P S -","- C72 H168 P8 S8 -","8","0.5","WN6010","Staples, Richard J.; Segal, Brent M.","Triisopropylphosphine sulfide","Acta Crystallographica Section E","2001","57","5","o432","o433","10.1107/S1600536801004767","","","0.71073","MoKα","","0.1434","0.0694","","","","0.2179","","","","","","1.143","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202099","9.261","0.001","14.422","0.002","10.929","0.001","90","","90","","90","","1459.7","0.3","295","","295","","","","","","","","","7","I b a m","-I 2 2c","72","","catena-Poly[bis(ethylenediamine)platinum(II,IV)-μ-chloro bis(hydrogensulfate)]","","- C8 H36 Cl2 N8 O16 Pt2 S4 -","- C8 H36 Cl2 N8 O16 Pt2 S4 -","- C16 H72 Cl4 N16 O32 Pt4 S8 -","2","0.125","OB6201","Matsushita, Nobuyuki","A one-dimensional Cl-bridged Pt^II/IV^ mixed-valence complex, <i>catena</i>-poly[[bis(ethylenediamine)platinum(II)-μ-chloro-bis(ethylenediamine)platinum(IV)-μ-chloro] tetrakis(hydrogensulfate)]","Acta Crystallographica Section E","2003","59","1","m26","m28","10.1107/S1600536802022584","","","0.71069","MoKα","","","0.0236","","","0.0479","0.0479","","","","","","1.143","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202758","16.5752","0.0017","10.4233","0.0013","6.4744","0.0014","90","","90","","90","","1118.6","0.3","295","2","295","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","NA6262","Dai-Xi Li; Duan-Jun Xu; Yuan-Zhi Xu","Redetermination of bis(dimethylglyoximato-κ^2^<i>N,N</i>')nickel(II)","Acta Crystallographica Section E","2003","59","12","m1094","m1095","10.1107/S1600536803024656","","","0.71073","MoKα","","0.038","0.034","","","0.1","0.103","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203629","16.4482","0.0014","19.9095","0.0017","6.7549","0.0006","90","","90","","90","","2212.1","0.3","291","2","291","2","","","","","","","","4","I b a m","-I 2 2c","72","","2-Methoxycarbonyl-4-nitroacetanilide","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C80 H80 N16 O40 -","8","0.5","LH6206","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Methoxycarbonyl-4-nitroacetanilide: π-stacked chains linked in pairs by C—H···O hydrogen bonds","Acta Crystallographica Section E","2004","60","5","o852","o854","10.1107/S1600536804009195","","","0.71073","MoKα","","0.0903","0.0501","","","0.1176","0.1302","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204765","12.9","0.003","7.8312","0.0019","14.722","0.004","90","","90","","90","","1487.3","0.6","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","Poly[[terachlorogold(III)potassium(I)(Au—K)]-μ-4,4'-bipyridine]","","- C10 H8 Au Cl4 K N2 -","- C10 H8 Au Cl4 K N2 -","- C40 H32 Au4 Cl16 K4 N8 -","4","0.25","OB6430","Song, Cheng; Li, Yi-Zhi; Chen, Ya-Qing; Xiao, Shou-Jun; You, Xiao-Zeng","Poly[[terachlorogold(III)potassium(I)(<i>Au{—</i>K})]-μ-4,4'-bipyridine]","Acta Crystallographica Section E","2004","60","12","m1741","m1743","10.1107/S1600536804026996","","","0.71073","MoKα","","0.0653","0.0399","","","0.0942","0.0994","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205272","9.58","0.002","13.416","0.002","10.743","0.002","90","","90","","90","","1380.7","0.4","295","","295","","","","","","","","","7","I b a m","-I 2 2c","72","","catena-poly[[[bis(ethylenediamine)platinum(II)]-μ-chloro- [bis(ethylenediamine)platinum(IV)]-μ-chloro] tetrakis(tetrafluoroborate)]","","- C8 H32 B4 Cl2 F16 N8 Pt2 -","- C8 H32 B4 Cl2 F16 N8 Pt2 -","- C16 H64 B8 Cl4 F32 N16 Pt4 -","2","0.125","HB6153","Matsushita, Nobuyuki","A one-dimensional Cl-bridged Pt^II^/Pt^IV^ mixed-valence complex, <i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-μ-chloro-[bis(ethylenediamine)platinum(IV)]-μ-chloro] tetrakis(tetrafluoroborate)]","Acta Crystallographica Section E","2005","61","3","m514","m516","10.1107/S1600536805004113","","","0.71069","MoKα","","0.0474","0.0263","","","0.0609","0.0678","","","","","","1.068","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208327","15.5206","0.0019","7.3856","0.0009","4.8852","0.0006","90","","90","","90","","559.99","0.12","100","2","100","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Mn4.6 Si5 Ta1.4 -","- Mn4.608 Si5 Ta1.392 -","- Mn18.432 Si20 Ta5.568 -","4","0.25","HB2007","Bobev, Svilen; Bauer, Eric D.; Sarrao, John L.","Ta~1.40(1)~Mn~4.60(1)~Si~5~: distribution of the Ta and Mn atoms","Acta Crystallographica Section E","2006","62","3","i69","i71","10.1107/S1600536806005873","","","0.71073","MoKα","","0.0208","0.0192","","","0.0472","0.0477","","","","","","1.124","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2210160","17.112","0.002","15.361","0.002","6.738","0.001","90","","90","","90","","1771.1","0.4","295","2","295","2","","","","","","","","5","I b a m","-I 2 2c","72","","catena-Poly[[[bis(1H-benzimidazole-κN^3^)cobalt(II)]di-μ-azido] dihydrate]","","- C14 H16 Co N10 O2 -","- C14 H16 Co N10 O2 -","- C56 H64 Co4 N40 O8 -","4","0.25","CI2131","Zhang, Chong; Ai, Hong-Qi; Sun, De-Zhi; Ng, Seik Weng","<i>catena</i>-Poly[[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-azido] dihydrate]","Acta Crystallographica Section E","2006","62","9","m2045","m2046","10.1107/S1600536806029618","","","0.71073","MoKα","","0.062","0.035","","","0.081","0.095","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210403","7.8216","0.0005","12.9012","0.0009","14.732","0.001","90","","90","","90","","1486.58","0.17","291","2","291","2","","","","","","","","5","I b a m","-I 2 2c","72","","4,4'-Bipyridinium tetrachloroaurate(III) chloride","","- C10 H10 Au Cl5 N2 -","- C10 H10 Au Cl5 N2 -","- C40 H40 Au4 Cl20 N8 -","4","0.25","WM2030","Zhang, Xiang-Pei; Yang, Guang; Ng, Seik Weng","4,4'-Bipyridinium tetrachloroaurate(III) chloride","Acta Crystallographica Section E","2006","62","9","m2018","m2020","10.1107/S1600536806029199","","","0.71073","MoKα","","0.024","0.022","","","0.06","0.061","","","","","","1.15","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211231","8.9553","0.0004","18.3506","0.0009","9.8947","0.0005","90","","90","","90","","1626.05","0.14","153","2","153","2","","","","","","","","4","I b a m","-I 2 2c","72","Tetrapotassium barium bis(tetrathiovanadate(V))","Tetrapotassium barium bis(tetrathiovanadate(V))","","- Ba K4 S8 V2 -","- Ba K4 S8 V2 -","- Ba4 K16 S32 V8 -","4","0.25","WM2058","Huang, Fu Qiang; Yao, Jiyong; Ibers, James A.","Tetrapotassium barium bis[tetrathiovanadate(V)], K~4~Ba[VS~4~]~2~","Acta Crystallographica Section E","2006","62","11","i224","i225","10.1107/S160053680604133X","","","0.71073","MoKα","","0.0252","0.0238","","","0.0641","0.0646","","","","","","1.659","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2230800","13.6021","0.0009","6.8903","0.0005","6.1396","0.0004","90","","90","","90","","575.42","0.07","293","2","293","2","","","","","","","","3","I b a m","-I 2 2c","72","cerium(III) nitride chloride","Cerium(III) nitride trichloride","","- Ce2 Cl3 N -","- Ce2 Cl3 N -","- Ce8 Cl12 N4 -","4","0.25","MG2121","Schurz, Christian M.; Schleid, Thomas","A-type Ce~2~NCl~3~","Acta Crystallographica Section E","2011","67","7","i42","","10.1107/S1600536811023105","","","0.71069","MoKα","","0.0477","0.0348","","","0.0574","0.0608","","","","","","1.124","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235660","8.683","0.0017","10.797","0.002","16.158","0.003","90","","90","","90","","1514.8","0.5","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","<i>catena</i>-Poly[[gallium(III)-bis[μ-<i>D</i>/<i>L</i>-tartrato(2-)]- gallium(III)-di-μ-hydroxido] dihydrate]","","- C8 H14 Ga2 O16 -","- C8 H14 Ga2 O16 -","- C32 H56 Ga8 O64 -","4","0.25","VN2042","Liu, Xiaojing; Tian, Ruijing; Zhang, Cailing; Zhi, Xia; Pan, Qinhe","<i>catena</i>-Poly[[gallium(III)-bis[μ-<small>D</small>/<small>L</small>-tartrato(2{-})]-gallium(III)-di-μ-hydroxido] dihydrate]","Acta Crystallographica Section E","2012","68","7","m989","m990","10.1107/S1600536812028188","","","0.71073","MoKα","","0.0408","0.0313","","","0.0708","0.0742","","","","","","1.142","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239301","6.3807","0.0004","9.8331","0.0006","22.1717","0.0016","90","","90","","90","","1391.1","0.16","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","(μ-Dihydrogen pyrazine-2,3,5,6-tetracarboxylato-κ^6^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^;<i>O</i>^3^,<i>N</i>^4^,<i>O</i>^5^)bis(diaqualithium) monohydrate","","- C8 H12 Li2 N2 O13 -","- C8 H12 Li2 N2 O13 -","- C32 H48 Li8 N8 O52 -","4","0.25","","Starosta, Wojciech; Leciejewicz, Janusz","(μ-Dihydrogen pyrazine-2,3,5,6-tetracarboxylato-κ^6^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^;<i>O</i>^3^,<i>N</i>^4^,<i>O</i>^5^)bis(diaqualithium) monohydrate","Acta Crystallographica Section E","2014","70","5","m172","","10.1107/S1600536814007223","","","0.71073","MoKα","","0.0535","0.0468","","","0.0955","0.0997","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239506","13.138","0.002","15.615","0.003","6.7726","0.0011","90","","90","","90","","1389.4","0.4","296","2","296","2","","","","","","","","3","I b a m","-I 2 2c","72","","4,4'-Dimethoxybiphenyl-3,3'-dicarboxylic acid","","- C16 H14 O6 -","- C16 H14 O6 -","- C64 H56 O24 -","4","0.25","","Lundvall, Fredrik; Wragg, David Stephen; Dietzel, Pascal D. C.; Fjellvåg, Helmer","4,4'-Dimethoxybiphenyl-3,3'-dicarboxylic acid","Acta Crystallographica Section E","2014","70","5","o615","","10.1107/S1600536814008599","","","0.71073","MoKα","","0.0509","0.0462","","","0.1308","0.1355","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"4000522","5.3794","0.0011","11.268","0.002","13.413","0.003","90","","90","","90","","813","0.3","175","5","175","5","","","","","","","","4","I b a m","-I 2 2c","72","Thallium Copper Tin Sulfide","","","- Cu2 S4 Sn Tl2 -","- Cu2 S4 Sn Tl2 -","- Cu8 S16 Sn4 Tl8 -","4","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000979","12.5401","0.0006","35.6519","0.0019","7.0347","0.0004","90","","90","","90","","3145.1","0.3","295","2","295","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C14 H24 O22 S2 Yb4 -","- C14 H24 O22 S2 Yb4 -","- C56 H96 O88 S8 Yb16 -","4","0.25","","Gándara, Felipe; Puebla, Enrique Gutiérrez; Iglesias, Marta; Proserpio, Davide M.; Snejko, Natalia; Monge, M. Ángeles","Controlling the Structure of Arenedisulfonates toward Catalytically Active Materials","Chemistry of Materials","2009","21","4","655","","10.1021/cm8029517","","","0.71073","MoKα","","0.0947","0.0719","","","0.1883","0.2007","","","","","","1.024","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001270","9.3243","0.0018","11.391","0.002","8.4009","0.0016","90","","90","","90","","892.3","0.3","150","2","150","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C4 H14 F5 In N2 -","- C4 H14 F5 In N2 -","- C16 H56 F20 In4 N8 -","4","0.25","","Jayasundera, Anil C. A.; Finch, Adrian A.; Wormald, Philip; Lightfoot, Philip","Solvothermal Synthesis and Luminescent Properties of Two Organically Templated Chain-Structure Fluorides, [C4H14N2][MF5] (M = In, Sc)","Chemistry of Materials","2008","20","21","6810","","10.1021/cm802049d","","","0.7749","synchrotron","","0.0271","0.0254","","","0.0677","0.0702","","","","","","0.965","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001271","9.353","0.003","11.433","0.001","8.226","0.004","90","","90","","90","","879.6","0.5","93","2","93","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C4 H14 F5 N2 Sc -","- C4 H14 F5 N2 Sc -","- C16 H56 F20 N8 Sc4 -","4","0.25","","Jayasundera, Anil C. A.; Finch, Adrian A.; Wormald, Philip; Lightfoot, Philip","Solvothermal Synthesis and Luminescent Properties of Two Organically Templated Chain-Structure Fluorides, [C4H14N2][MF5] (M = In, Sc)","Chemistry of Materials","2008","20","21","6810","","10.1021/cm802049d","","","0.71073","MoKα","","0.0571","0.0415","","","0.1173","0.1656","","","","","","1.906","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001721","5.51664","","5.51664","","7.8134","","90","","90","","90","","237.788","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","Bismuth silver titanate (0.5/0.5/1)","","- Ag0.456 Bi0.544 O3 Ti -","- Ag0.456 Bi0.544 O3 Ti -","- Ag1.824 Bi2.176 O12 Ti4 -","4","0.25","","Woodward, P.M.; Park, J.-H.; Parise, J.B.; Stafsudd, O.; Reeder, R.J.; Lubomirsky, I.","Synthesis, structure, and dielectric properties of (Bi0.5 Ag0.5) Ti O3","Chemistry of Materials (1,1989-)","1999","11","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001722","5.47309","","5.5098","","7.7563","","90","","90","","90","","233.896","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","Bismuth silver titanate (0.5/0.5/1)","","- Ag0.5 Bi0.5 O3 Ti -","- Ag0.5 Bi0.5 O3 Ti -","- Ag2 Bi2 O12 Ti4 -","4","0.25","","Park, J.-H.; Lubomirsky, I.; Reeder, R.J.; Parise, J.B.; Stafsudd, O.; Woodward, P.M.","Synthesis, structure, and dielectric properties of (Bi0.5 Ag0.5) Ti O3","Chemistry of Materials (1,1989-)","1999","11","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002165","6.2778","0.0013","11.601","0.002","14.431","0.003","90","","90","","90","","1051","0.4","293","","293","","","","","","","","synthesis as described","3","I b a m","-I 2 2c","72","","","","- Cs2 Hg3 S4 -","- Cs2 Hg3 S4 -","- Cs8 Hg12 S16 -","4","0.25","","Islam, Saiful M.; Vanishri, S.; Li, Hao; Stoumpos, Constantinos C.; Peters, John. A.; Sebastian, Maria; Liu, Zhifu; Wang, Shichao; Haynes, Alyssa S.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce; Kanatzidis, Mercouri G.","Cs2Hg3S4: A Low-Dimensional Direct Bandgap Semiconductor","Chemistry of Materials","2015","27","1","370","","10.1021/cm504089r","","x-ray","0.71073","MoKα","","0.0512","0.0403","","","0.0825","0.0892","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4003292","7.343","0.002","36.61","0.011","13.592","0.004","90","","90","","90","","3653.9","1.8","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2FeBr4","","","- C16 H8 Br4 Fe I4 S4 Se8 -","- C16 Br4 Fe I4 S4 Se8 -","- C64 Br16 Fe4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0386","0.0303","","","0.0768","0.081","","","","","","1.039","","","","has coordinates","231496","2020-10-21","18:00:00",""
"4003293","7.339","0.002","35.846","0.011","13.576","0.004","90","","90","","90","","3571.5","1.8","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2GaCl4","","","- C16 H8 Cl4 Ga I4 S4 Se8 -","- C16 Cl4 Ga I4 S4 Se8 -","- C64 Cl16 Ga4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0362","0.0266","","","0.0707","0.0778","","","","","","1.04","","","","has coordinates","231497","2020-10-21","18:00:00",""
"4003294","7.3315","0.0009","35.801","0.004","13.5837","0.0016","90","","90","","90","","3565.4","0.7","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2FeCl4","","","- C16 H8 Cl4 Fe I4 S4 Se8 -","- C16 Cl4 Fe I4 S4 Se8 -","- C64 Cl16 Fe4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0319","0.0261","","","0.0672","0.0715","","","","","","1.077","","","","has coordinates","231498","2020-10-21","18:00:00",""
"4003295","7.3519","0.0013","36.69","0.006","13.606","0.002","90","","90","","90","","3670.1","1","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2GaBr4","","","- C16 H8 Br4 Ga I4 S4 Se8 -","- C16 Br4 Ga I4 S4 Se8 -","- C64 Br16 Ga4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0381","0.0297","","","0.0714","0.076","","","","","","1.038","","","","has coordinates","231499","2020-10-21","18:00:00",""
"4030811","7.193","0.001","23.138","0.004","6.209","0.002","90","","90","","90","","1033.4","0.4","","","293","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- N5 Na O Rb4 W2 -","- N4.998 Na O1.002 Rb4 W2 -","- N19.992 Na4 O4.008 Rb16 W8 -","4","0.25","","Niewa, R.; Jacobs, H.","NaRb4[(WN2.5O0.5)2] and NaCs4[(WN2.5O0.5)2], the first oxo nitrido tungstates(VI) with infinite chains [WX2X2/22.5-] with X=N,O","European Journal of Solid State and Inorganic Chemistry","1996","33","","463","470","","","x-ray","0.56087","AgKα","","","0.023","","","0.026","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030812","7.43","0.001","24.318","0.003","6.261","0.002","90","","90","","90","","1131.3","0.4","","","293","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- Cs4 N5 Na O W2 -","- Cs4 N4.998 Na O1.002 W2 -","- Cs16 N19.992 Na4 O4.008 W8 -","4","0.25","","Niewa, R.; Jacobs, H.","NaRb4[(WN2.5O0.5)2] and NaCs4[(WN2.5O0.5)2], the first oxo nitrido tungstates(VI) with infinite chains [WX2X2/22.5-] with X=N,O","European Journal of Solid State and Inorganic Chemistry","1996","33","","463","470","","","x-ray","0.71073","MoKα","","","0.025","","","0.027","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4072400","10.329","0.002","15.447","0.003","31.058","0.006","90","","90","","90","","4955.4","1.7","200","2","200","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C30 H72 O Si12 -","- C30 H72 O Si12 -","- C120 H288 O4 Si48 -","4","0.25","","Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph","Synthesis of Cyclic and Bicyclic Polysilanes of Variable Ring Sizes","Organometallics","2008","27","24","6472","","10.1021/om800842p","","","0.71073","MoKα","","0.0926","0.0838","","","0.1703","0.1746","","","","","","1.309","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4073590","24.867","0.002","13.4013","0.0007","13.4807","0.0007","90","","90","","90","","4492.4","0.5","100","2","100","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C15 H39 Cl Ir P3 Si -","- C15 H39 Cl Ir P3 Si -","- C120 H312 Cl8 Ir8 P24 Si8 -","8","0.5","","Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.","Synthesis, Structure, and Spectroscopy of Silaallyl− and Silapentadienyl−Iridium−Phosphine Complexes1","Organometallics","2007","26","16","3904","","10.1021/om700487n","","","0.71073","MoKα","","0.0573","0.0383","","","0.0863","0.0924","","","","","","1.08","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4101816","14.438","0.003","18.437","0.004","12.997","0.003","90","","90","","90","","3459.7","1.3","123","2","123.15","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C9.6 H8 B0.8 Co0.4 Fe0.8 N7.2 -","- C9.6 H8 B0.8 Co0.4 Fe0.8 N7.2 -","- C96 H80 B8 Co4 Fe8 N72 -","10","0.625","","Yan-Juan Zhang; Tao Liu; Shinji Kanegawa; Osamu Sato","Interconversion between a Nonporous Nanocluster and a Microporous Coordination Polymer Showing Selective Gas Adsorption","Journal of the American Chemical Society","2010","132","","912","913","10.1021/ja908670u","","","0.71073","MoKα","","0.1091","0.1089","","","0.2007","0.2007","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108275","10.0482","0.0009","18.2409","0.0016","26.895","0.002","90","","90","","90","","4929.5","0.7","233","2","233","2","","","","","","","","5","I b a m","-I 2 2c","72","MOF-119","","","- C45 H52 Cu2 N8 O13 -","- C37 H22 Cu2 N6 O18 -","- C148 H88 Cu8 N24 O72 -","4","0.25","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.0985","0.0656","","","0.1793","0.2031","","","","","","1.056","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4111347","11.419","0.002","24.83","0.004","30.005","0.004","90","","90","","90","","8507","2","296","1","","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C24 H24 Cu3 N20 O8 W2 -","- C24 H8 Cu3 N20 O8 W2 -","- C192 H64 Cu24 N160 O64 W16 -","8","0.5","","Shin-ichi Ohkoshi; Yoshihide Tsunobuchi; Hitomi Takahashi; Toshiya Hozumi; Motoo Shiro; Kazuhito Hashimoto","Synthesis and Alcohol Vapor Sensitivity of a Ferromagnetic Copper-Tungsten Bimetallic Assembly","Journal of the American Chemical Society","2007","129","","3084","3085","10.1021/ja069353+","","","0.71075","MoKα","","","0.0253","","","","0.0614","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113697","10.2246","0.001","16.531","0.002","6.2439","0.0006","90","","90","","90","","1055.36","0.19","213","2","213","2","","","","","","","synthesized","3","I b a m","-I 2 2c","72","","(E)-penta-2,4-dienoic acid","","- C5 H6 O2 -","- C5 H6 O2 -","- C40 H48 O16 -","8","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0384","0.0352","","0.1181","0.1094","","","","1.077","1.057","1.057","","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4118600","13.531","0.003","18.291","0.004","22.172","0.006","90","","90","","90","","5487","2","373","2","373","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C20 H11 D8 N O5 Zn -","- C20 D8 N O5 Zn -","- C160 D64 N8 O40 Zn8 -","8","0.5","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.1083","0.0707","","","0.2366","0.2764","","","","","","1.09","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4122027","16.3923","0.0004","19.852","0.0006","21.4153","0.0006","90","","90","","90","","6969","0.3","200","2","200","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C39 H57 Al N2 -","- C39 H58 Al N2 -","- C312 H464 Al8 N16 -","8","0.5","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0652","0.0453","","","0.1171","0.1336","","","","","","1.038","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122143","17.125","0.017","17.685","0.016","19.071","0.016","90","","90","","90","","5776","9","333","2","333","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C24 H44 B F4 N O6 -","- C24 H44 B F4 N O6 -","- C192 H352 B8 F32 N8 O48 -","8","0.5","","Ye, Heng-Yun; Li, Shen-Hui; Zhang, Yi; Zhou, Lei; Deng, Feng; Xiong, Ren-Gen","Solid State Molecular Dynamic Investigation of An Inclusion Ferroelectric: [(2,6-Diisopropylanilinium)([18]crown-6)]BF4.","Journal of the American Chemical Society","2014","136","28","10033","10040","10.1021/ja503344b","","","0.71073","MoKα","","0.1881","0.1144","","","0.2588","0.2982","","","","","","1.205","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4126370","10.092","0.004","19.277","0.008","15.171","0.006","90","","90","","90","","2951","2","100","2","100","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C20 H16 F6 N4 O6 S2 Si Zn -","- C20 H16 F6 N4 O6 S2 Si Zn -","- C80 H64 F24 N16 O24 S8 Si4 Zn4 -","4","0.25","","Lin, Rui-Biao; Li, Libo; Wu, Hui; Arman, Hadi; Li, Bin; Lin, Rong-Guang; Zhou, Wei; Chen, Banglin","Optimized Separation of Acetylene from Carbon Dioxide and Ethylene in a Microporous Material.","Journal of the American Chemical Society","2017","139","23","8022","8028","10.1021/jacs.7b03850","","","0.71073","MoKα","","0.0969","0.0891","","","0.2062","0.2116","","","","","","1.167","","","","has coordinates,has disorder","200249","2020-10-21","18:00:00",""
"4132300","7.5844","0.0001","15.3613","0.0003","37.013","0.0006","90","","90","","90","","4312.25","0.12","123","2","123","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C51 H27 F16 N9 O -","- C51 H27 F16 N9 O -","- C204 H108 F64 N36 O4 -","4","0.25","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0499","0.0494","","","0.1196","0.1197","","","","","","1.259","","","","has coordinates,has disorder","242298","2020-10-21","18:00:00",""
"4134836","13.721","0.0003","20.3857","0.0006","8.8553","0.0008","90","","90","","90","","2476.9","0.2","440","","440","","","","","","","","","5","I b a m","-I 2 2c","72","Octanediammonium Tin iodide","","","- C8 H22 I6 N2 Sn2 -","- C8 H22 I6 N2 Sn2 -","- C32 H88 I24 N8 Sn8 -","4","0.25","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Guo, Peijun; Sidhik, Siraj; Kepenekian, Mikaël; Even, Jacky; Mohite, Aditya D.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Water Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiency.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03004","","x-ray","0.71073","MoKα","","0.0662","0.0472","","","0.1194","0.1249","","","","3.22","3.22","2.82","","","","has coordinates","251280","2020-10-21","18:00:00",""
"4134962","19.04","0.004","9.9063","0.0018","15.835","0.003","90","","90","","90","","2986.7","1","193","2","193","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C20 H28 Cu F6 N4 O6 S2 Si -","- C20 H28 Cu F6 N4 O6 S2 Si -","- C80 H112 Cu4 F24 N16 O24 S8 Si4 -","4","0.25","","Wang, Jun; Zhang, Yan; Zhang, Peixin; Hu, Jianbo; Lin, Rui-Biao; Deng, Qiang; Zeng, Zheling; Xing, Huabin; Deng, Shuguang; Chen, Banglin","Optimizing Pore Space for Flexible-Robust Metal-Organic Framework to Boost Trace Acetylene Removal.","Journal of the American Chemical Society","2020","142","21","9744","9751","10.1021/jacs.0c02594","","","1.34139","GaKα","","0.0862","0.0752","","","0.239","0.2579","","","","","","1.08","","","","has coordinates,has disorder","252595","2020-10-21","18:00:00",""
"4303442","49.257","0.01","28.439","0.006","14.866","0.003","90","","90","","90","","20825","7","150","2","150","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C18 H46 Ge33 N8 O75 -","- C18 H46 Ge33 N8 O75 -","- C144 H368 Ge264 N64 O600 -","8","0.5","","Charlotte Bonneau; Junliang Sun; Rebeca Sanchez-Smith; Bing Guo; Daliang Zhang; Andrew Kentaro Inge; Mattias Edén; Xiaodong Zou","Open-Framework Germanate Built from the Hexagonal Packing of Rigid Cylinders","Inorganic Chemistry","2009","48","","9962","9964","10.1021/ic900940s","","x-ray","1.03","synchrotron","","0.1217","0.0749","","","0.1892","0.2054","","","","","","0.943","","","","has coordinates","179072","2020-10-21","18:00:00",""
"4303645","7.9911","0.0007","10.1983","0.0008","20.4588","0.0018","90","","90","","90","","1667.3","0.2","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C4 H4 Cd N8 O -","- C4 H4 Cd N8 O -","- C32 H32 Cd8 N64 O8 -","8","0.5","","Pei-Xiu Yin; Jian-Kai Cheng; Zhao-Ji Li; Lei Zhang; Ye-Yan Qin; Jian Zhang; Yuan-Gen Yao","Ag(I)-Mediated In situ Dehydrogenative Coupling of 3-Amino-1,2,4-triazole into 3,3'-Azobis(1,2,4-triazole) in Cd(II) Coordination Polymers","Inorganic Chemistry","2009","48","","10859","10861","10.1021/ic9007813","","","0.71073","MoKα","","0.0237","0.02","","","0.0378","0.0395","","","","","","1.166","","","","has coordinates","179074","2020-10-21","18:00:00",""
"4306104","9.286","0.003","11.406","0.004","25.703","0.008","90","","90","","90","","2722.4","1.6","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","Mn3(C8N36O6H18)","Mn3(C8N36O6H18)","","- C8 H18 Mn3 N36 O6 -","- C8 H18 Mn3 N36 O6 -","- C32 H72 Mn12 N144 O24 -","4","0.25","","Ying-Bing Lu; Ming-Sheng Wang; Wei-Wei Zhou; Gang Xu; Guo-Cong Guo; Jin-Shun Huang","Novel 3-D PtS-like Tetrazolate-Bridged Manganese(II) Complex Exhibiting Spin-Canted Antiferromagnetism and Field-Induced Spin-Flop Transition","Inorganic Chemistry","2008","47","","8935","8942","10.1021/ic801026y","","","0.71073","MoKα","","0.0305","0.0303","","","0.1369","0.138","","","","","","0.981","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4307683","29.194","0.006","12.039","0.002","12.783","0.003","90","","90","","90","","4492.8","1.6","180","2","180","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C17 H22 Br Mo N5 O2 -","- C16.97 H23.94 Br Mo N5 O2 -","- C135.76 H191.52 Br8 Mo8 N40 O16 -","8","0.5","","Laura Ion; Dolores Morales; Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel; Richard A. Kowenicki; Mary McPartlin","Biimidazole and Bis(amide)bipyridine Molybdenum Carbonyl Complexes as Anions Receptors","Inorganic Chemistry","2007","46","","2846","2853","10.1021/ic0621650","","","0.71073","MoKα","","0.068","0.049","","","0.0944","0.1011","","","","","","1.105","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4310030","5.54077","","5.54077","","23.64884","","90","","90","","90","","726.023","","","","","","","","","","","","","1","I b a m","-I 2 2c","72","","","","- Fe -","- Fe -","- Fe12 -","12","0.75","","Pavel Karen; Emmanuelle Suard; François Fauth","Crystal Structure of Stoichiometric YBa2Fe3O8","Inorganic Chemistry","2005","44","","8170","8172","10.1021/ic048746b","powder diffraction","","","","","","","","","","","","","1.92","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4310385","15.07","0.003","19.824","0.004","23.695","0.004","90","","90","","90","","7079","2","193","2","273","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C42 H72 B2 Cl4 Fe6 Mo2 N18 S8 -","- C39 H20 B2 Cl4 Fe6 Mo2 N17 S8 -","- C156 H80 B8 Cl16 Fe24 Mo8 N68 S32 -","4","0.25","","Yugen Zhang; R. H. Holm","Structural Conversions of Molybdenum-Iron-Sulfur Edge-Bridged Double Cubanes and PN-Type Clusters Topologically Related to the Nitrogenase P-Cluster","Inorganic Chemistry","2004","43","","674","682","10.1021/ic030259t","","","0.71073","MoKα","","0.0494","0.041","","","0.1185","0.1211","","","","","","1.18","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310898","15.8583","0.0005","15.9368","0.0005","16.9816","0.0006","90","","90","","90","","4291.8","0.2","150","2","150","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C10 H15 Cl1.5 Fe0.5 Re0.25 -","- C10 Cl1.5 Fe0.5 Re0.25 -","- C160 Cl24 Fe8 Re4 -","16","1","","Ricardo González; Raúl Chiozzone; Carlos Kremer; Francesca Guerra; Giovanni De Munno; Francesc Lloret; Miguel Julve; Juan Faus","Magnetic Studies on Hexahalorhenate(IV) Salts of Ferrocenium Cations [Fe(C5R5)2]2[ReX6] (R = H, CH3; X = Cl, Br, I)","Inorganic Chemistry","2004","43","","3013","3019","10.1021/ic030302c","","","1.54178","CuKα","","0.0486","0.0462","","","0.1235","0.1253","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312208","9.406","0.002","12.145","0.003","8.567","0.002","90","","90","","90","","978.7","0.4","298","2","298","2","","","","","","","","4","I b a m","-I 2 2c","72","","Mercury(I) monofluorophosphate","","- F Hg2 O3 P -","- F Hg2 O3 P -","- F8 Hg16 O24 P8 -","8","0.5","","Matthias Weil; Michael Puchberger; Enrique J. Baran","Preparation and Characterization of Dimercury(I) Monofluorophosphate(V), Hg2PO3F: Crystal Structure, Thermal Behavior, Vibrational Spectra, and Solid-State 31P and 19F NMR Spectra","Inorganic Chemistry","2004","43","","8330","8335","10.1021/ic048741e","","","0.71073","MoKα","","0.0406","0.0353","","","0.0879","0.0909","","","","","","1.068","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4315625","13.399","0.009","6.878","0.005","6.541","0.004","90","","90","","90","","602.8","0.7","200","2","200","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- As2 Ba2 Zn -","- As2 Ba2 Zn -","- As8 Ba8 Zn4 -","4","0.25","","Bayrammurad Saparov; Svilen Bobev","Isolated \ιnfty1[ZnPn2]4- Chains in the Zintl Phases Ba2ZnPn2 (Pn = As, Sb, Bi) - Synthesis, Structure, and Bonding","Inorganic Chemistry","2010","49","","5173","5179","10.1021/ic100296x","","","0.71073","MoKα","","0.0181","0.0155","","","0.0344","0.0353","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4315626","14.133","0.003","7.1919","0.0015","6.9597","0.0015","90","","90","","90","","707.4","0.3","200","2","200","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Ba2 Sb2 Zn -","- Ba2 Sb2 Zn -","- Ba8 Sb8 Zn4 -","4","0.25","","Bayrammurad Saparov; Svilen Bobev","Isolated \ιnfty1[ZnPn2]4- Chains in the Zintl Phases Ba2ZnPn2 (Pn = As, Sb, Bi) - Synthesis, Structure, and Bonding","Inorganic Chemistry","2010","49","","5173","5179","10.1021/ic100296x","","","0.71073","MoKα","","0.0187","0.0151","","","0.0304","0.0312","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4315627","14.325","0.006","7.28","0.003","7.089","0.003","90","","90","","90","","739.3","0.5","200","2","200","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Ba2 Bi2 Zn -","- Ba2 Bi2 Zn -","- Ba8 Bi8 Zn4 -","4","0.25","","Bayrammurad Saparov; Svilen Bobev","Isolated \ιnfty1[ZnPn2]4- Chains in the Zintl Phases Ba2ZnPn2 (Pn = As, Sb, Bi) - Synthesis, Structure, and Bonding","Inorganic Chemistry","2010","49","","5173","5179","10.1021/ic100296x","","","0.71073","MoKα","","0.0264","0.0214","","","0.0467","0.0485","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4315632","9.148","0.007","13.323","0.011","21.42","0.02","90","","90","","90","","2611","4","103","2","103","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C13 H36 Br3 Cr O P4 -","- C12 H32 Br3 Cr P4 -","- C48 H128 Br12 Cr4 P16 -","4","0.25","","Hemamala I. Karunadasa; Kristine D. Arquero; Louise A. Berben; Jeffrey R. Long","Enhancing the Magnetic Anisotropy of Cyano-Ligated Chromium(II) and Chromium(III) Complexes via Heavy Halide Ligand Effects","Inorganic Chemistry","2010","49","","4738","4740","10.1021/ic1002995","","","0.71073","MoKα","","0.0277","0.0236","","","0.0732","0.0755","","","","","","1.136","","","","has coordinates","179236","2020-10-21","18:00:00",""
"4316362","10.414","0.005","12.859","0.011","13.373","0.006","90","","90","","90","","1790.8","1.9","291","2","291","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C10 H5 Mn2 N8 O5 W -","- C10 H5 Mn2 N8 O5 W -","- C40 H20 Mn8 N32 O20 W4 -","4","0.25","","Tian-Wei Wang; Jun Wang; Shin-ichi Ohkoshi; You Song; Xiao-Zeng You","Manganese(II)-Octacyanometallate(V) Bimetallic Ferrimagnets with Tc from 41 to 53 K Obtained in Acidic Media","Inorganic Chemistry","2010","49","","7756","7763","10.1021/ic100591h","","","0.71073","MoKα","","0.0343","0.029","","","0.0744","0.0764","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316363","10.414","0.005","12.859","0.011","13.373","0.006","90","","90","","90","","1790.8","1.9","291","2","291","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C10 H5 Mn2 Mo N8 O5 -","- C10 H5 Mn2 Mo N8 O5 -","- C40 H20 Mn8 Mo4 N32 O20 -","4","0.25","","Tian-Wei Wang; Jun Wang; Shin-ichi Ohkoshi; You Song; Xiao-Zeng You","Manganese(II)-Octacyanometallate(V) Bimetallic Ferrimagnets with Tc from 41 to 53 K Obtained in Acidic Media","Inorganic Chemistry","2010","49","","7756","7763","10.1021/ic100591h","","","0.71073","MoKα","","0.0746","0.0556","","","0.1357","0.1428","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316364","10.541","0.003","12.8591","0.0017","13.446","0.002","90","","90","","90","","1822.6","0.6","291","2","291","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C11 H7 Mn2 N8 O5 W -","- C11 H7 Mn2 N8 O5 W -","- C44 H28 Mn8 N32 O20 W4 -","4","0.25","","Tian-Wei Wang; Jun Wang; Shin-ichi Ohkoshi; You Song; Xiao-Zeng You","Manganese(II)-Octacyanometallate(V) Bimetallic Ferrimagnets with Tc from 41 to 53 K Obtained in Acidic Media","Inorganic Chemistry","2010","49","","7756","7763","10.1021/ic100591h","","","0.71073","MoKα","","0.0452","0.037","","","0.1056","0.1112","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316365","10.443","0.003","12.854","0.003","13.443","0.004","90","","90","","90","","1804.5","0.9","291","2","291","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C11 H7 Mn2 Mo N8 O5 -","- C11 H7 Mn2 Mo N8 O5 -","- C44 H28 Mn8 Mo4 N32 O20 -","4","0.25","","Tian-Wei Wang; Jun Wang; Shin-ichi Ohkoshi; You Song; Xiao-Zeng You","Manganese(II)-Octacyanometallate(V) Bimetallic Ferrimagnets with Tc from 41 to 53 K Obtained in Acidic Media","Inorganic Chemistry","2010","49","","7756","7763","10.1021/ic100591h","","","0.71073","MoKα","","0.072","0.0545","","","0.1275","0.1328","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4317155","23.2924","0.0003","14.5562","0.0003","15.7469","0.0006","90","","90","","90","","5339","0.2","150","1","150","1","","","","","","","synthesized by the authors","6","I b a m","-I 2 2c","72","","","","- C16 H37.5 Cl1.5 Ga N4 O19.5 -","- C16 H26 Cl1.5 Ga N4 O14.5 -","- C128 H208 Cl12 Ga8 N32 O116 -","8","0.5","","Vojtěch Kubíček; Jana Havlíčková; Jan Kotek; Gyula Tircsó; Petr Hermann; Éva Tóth; Ivan Lukeš","Gallium(III) Complexes of DOTA and DOTA-Monoamide: Kinetic and Thermodynamic Studies","Inorganic Chemistry","2010","49","","10960","10969","10.1021/ic101378s","","","0.71073","MoKα","","0.0578","0.0513","","","0.1155","0.1189","","","","","","1.044","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4318320","18.5879","0.0007","35.3143","0.0013","18.0726","0.0006","90","","90","","90","","11863.2","0.7","213","2","213","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C13.5 H30 Cl N O0.5 P2 Re3 Se4 -","- C13.5 H30 Cl N O0.5 P2 Re3 Se4 -","- C216 H480 Cl16 N16 O8 P32 Re48 Se64 -","16","1","","Thomas G. Gray; R. H. Holm","Site-Differentiated Hexanuclear Rhenium(III) Cyanide Clusters [Re6Se8(PEt3)n(CN)6-n]n-4 (n= 4, 5) and Kinetics of Solvate Ligand Exchange on the Cubic [Re6Se8]2+ Core","Inorganic Chemistry","2002","41","","4211","4216","10.1021/ic020214c","","","0.71073","MoKα","","0.0832","0.0508","","","0.1441","0.1689","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4318632","14.857","0.004","8.133","0.003","12.24","0.005","90","","90","","90","","1479","0.9","193","2","193","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C11 H20 Cu2 N4 -","- C11 H20 Cu2 N4 -","- C44 H80 Cu8 N16 -","4","0.25","","Enrique Colacio; Raikko Kivekäs; Francesc Lloret; Markku R. Sundberg; José Suárez-Varela; Manuel Bardají; Antonio Laguna","Architecture Dependence on the Steric Constrains of the Ligand in Cyano-Bridged Copper(I) and Copper(II)-Copper(I) Mixed-Valence Polymer Compounds Containing Diamines: Crystal Structures and Spectroscopic and Magnetic Properties","Inorganic Chemistry","2002","41","","5141","5149","10.1021/ic025743v","","","0.71073","MoKα","","0.0654","0.0514","","","0.1341","0.1408","","","","","","1.045","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4319430","5.7689","0.0012","11.287","0.002","6.2813","0.0013","90","","90","","90","","409","0.14","153","2","153","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Au Li3 S2 -","- Au Li3 S2 -","- Au4 Li12 S8 -","4","0.25","","Fu Qiang Huang; Yuting Yang; Christine Flaschenriem; James A. Ibers","Syntheses and Structures of LiAuS and Li3AuS2","Inorganic Chemistry","2001","40","","1397","1398","10.1021/ic001275i","","","0.71073","MoKα","","0.0341","0.0327","","","0.0797","0.0802","","","","","","1.567","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319718","19.0962","0.0002","9.1408","0.0001","10.2588","0.0002","90","","90","","90","","1790.72","0.04","159","2","159","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- K4 La0.67 P2 Se8 -","- K4 La0.67 P2 Se8 -","- K16 La2.68 P8 Se32 -","4","0.25","","Evenson; Peter K. Dorhout","Selenophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds K2La(P2Se6)1/2(PSe4), K3La(PSe4)2, K4La0.67(PSe4)2, K9-xLa1+x/3(PSe4)4 (x = 0.5), and KEuPSe4","Inorganic Chemistry","2001","40","","2875","2883","10.1021/ic000595z","","","0.71073","MoKα","","0.0473","0.0353","","0.0812","0.0755","","","","1.106","1.125","1.125","","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4319724","18.202","0.0015","8.7596","0.0007","9.7699","0.0008","90","","90","","90","","1557.7","0.2","170","2","170","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- K4 La0.67 P2 S8 -","- K4 La0.67 P2 S8 -","- K16 La2.68 P8 S32 -","4","0.25","","Evenson; Peter K. Dorhout","Thiophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds KLaP2S6, K2La(P2S6)1/2(PS4), K3La(PS4)2, K4La0.67(PS4)2, K9-xLa1+x/3(PS4)4 (x = 0.5), K4Eu(PS4)2, and KEuPS4","Inorganic Chemistry","2001","40","","2884","2891","10.1021/ic000596r","","","0.71073","MoKα","","0.0661","0.0469","","0.1115","0.1043","","","","1.055","1.109","1.109","","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4319726","18.293","0.051","8.813","0.015","9.741","0.01","90","","90","","90","","1570","5","168","2","168","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- Eu K4 P2 S8 -","- Eu K4 P2 S8 -","- Eu4 K16 P8 S32 -","4","0.25","","Evenson; Peter K. Dorhout","Thiophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds KLaP2S6, K2La(P2S6)1/2(PS4), K3La(PS4)2, K4La0.67(PS4)2, K9-xLa1+x/3(PS4)4 (x = 0.5), K4Eu(PS4)2, and KEuPS4","Inorganic Chemistry","2001","40","","2884","2891","10.1021/ic000596r","","","0.71073","MoKα","","0.0825","0.0495","","0.1218","0.1055","","","","1.131","1.148","1.148","","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4322207","19.063","0.004","9.838","0.002","12.934","0.003","90","","90","","90","","2425.7","0.9","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","bis((m2-cyclooctane-1,5-diyl-borane-oxo)dimethyl-gallium)","","- C20 H40 B2 Ga2 O2 -","- C20 H44 B2 Ga2 O2 -","- C80 H176 B8 Ga8 O8 -","4","0.25","","Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski","Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In","Inorganic Chemistry","1999","38","","3796","3800","10.1021/ic981454o","","","1.54178","CuKα","","0.0631","0.055","","0.183","0.1659","","","","1.118","1.134","1.134","","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4322208","19.136","0.004","9.83","0.002","13.423","0.003","90","","90","","90","","2525","0.9","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","bis((m2-cyclooctane-1,5-diylborane-oxo)dimethylindium)","","- C20 H40 B2 In2 O2 -","- C20 H40 B2 In2 O2 -","- C80 H160 B8 In8 O8 -","4","0.25","","Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski","Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In","Inorganic Chemistry","1999","38","","3796","3800","10.1021/ic981454o","","","1.54178","CuKα","","0.1072","0.0751","","0.2488","0.2127","","","","1.079","1.174","1.174","","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4322815","11.1283","0.0005","15.5927","0.0008","22.3178","0.0011","90","","90","","90","","3872.6","0.3","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","4,4'-bipyridinium bis(4,4'-bipyridine)diaquacopper(II) perchlorate solvate","","- C30 H30 Cl4 Cu N6 O18 -","- C30 H30 Cl4 Cu N6 O18 -","- C120 H120 Cl16 Cu4 N24 O72 -","4","0.25","","Ming-Liang Tong; Bao-Hui Ye; Ji-Wen Cai; Xiao-Ming Chen; Seik Weng Ng","Clathration of Two-Dimensional Coordination Polymers: Synthesis and Structures of [M(4,4'-bpy)~2~](ClO~4~)~2~.(2,4'-bpy)~2~.H~2~O and [Cu(4,4'-bpy)~2~(H~2~O)~2~](ClO~4~)~4~.(4,4'-H~2~bpy) (M = Cd^II^, Zn^II^ and bpy = Bipyridine)","Inorganic Chemistry","1998","37","","2645","2650","10.1021/ic9714293","","","0.71073","MoKα","","0.072","0.0546","","0.1546","0.1393","","","","1.021","1.059","1.059","","","","","has coordinates,has disorder","179331","2020-10-21","18:00:00",""
"4324018","15.324","0.002","22.634","0.003","6.8811","0.0007","90","","90","","90","","2386.7","0.5","158","2","158","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C28 H22 N4 O4 Pd -","- C28 H22 N4 O4 Pd -","- C112 H88 N16 O16 Pd4 -","4","0.25","","Ronald F. See; Christopher J. Curtis; Kevin W. McConnell; Seethraman Santhanam; William M. Strub; Joseph W. Ziller","Bonding Forces in Short Hydrogen Bonds. Crystal Structure of PdII(dpgH)2","Inorganic Chemistry","1997","36","","4151","4155","10.1021/ic9701266","","","0.71073","MoKα","","0.079","0.0488","","0.1358","0.1267","","","","1.29","1.423","1.423","","","","","has coordinates,has disorder","179343","2020-10-21","18:00:00",""
"4324773","20.3908","0.0016","13.4702","0.0011","17.9107","0.0015","90","","90","","90","","4919.5","0.7","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","[Mn2(Mepy-L)2(N3)3]n(Et2O)n","","","- C18 H24 Mn2 N13 O3 -","- C18 H24 Mn2 N13 O3 -","- C144 H192 Mn16 N104 O24 -","8","0.5","","Albert Escuer; Gina Vlahopoulou; Franz A. Mautner","Assembly of [MnII2MnIII2] S=9 Clusters via Azido Bridges: a New Single-Chain Magnet","Inorganic Chemistry","2011","50","","2717","2719","10.1021/ic102391e","","","0.71073","MoKα","","0.0692","0.0479","","","0.1189","0.1361","","","","","","1.089","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4327436","15.251","0.002","15.389","0.002","23.153","0.003","90","","90","","90","","5434","1.2","298","2","298","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C44 H56 Cl2 Cu4 N8 O13 -","- C44 H56 Cl2 Cu4 N8 O13 -","- C176 H224 Cl8 Cu16 N32 O52 -","4","0.25","","Manindranath Bera; Wing Tak Wong; Guillem Aromi; Joan Ribas; Debashis Ray","A Novel μ4-Oxo Bridged Copper Tetrahedron Derived by Self-Assembly: First Example of Double Helical Bis(Tridentate) Coordination of a Hexadentate Amine Phenol Ligand","Inorganic Chemistry","2004","43","","4787","4789","10.1021/ic049817+","","","0.7107","MoKα","","","0.0965","","","","0.1495","","","","","","3.535","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328403","8.716","0.004","18.718","0.008","5.693","0.002","90","","90","","90","","928.8","0.7","293","2","293","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Nb3.48 Sc2 Sn5 -","- Nb3.48 Sc2 Sn5 -","- Nb13.92 Sc8 Sn20 -","4","0.25","","Cheng-Yang Yue; Xiao-Wu Lei","Syntheses and Structures of Sc2Nb4-xSn5, YNb6Sn6, and ErNb6Sn5: Exploratory Studies in Ternary Rare-Earth Niobium Stannides","Inorganic Chemistry","2012","51","","2461","2471","10.1021/ic202414h","","","0.71073","MoKα","","0.0155","0.0146","","","0.032","0.0323","","","","","","1.156","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328404","8.672","0.003","18.719","0.006","5.6645","0.0016","90","","90","","90","","919.5","0.5","293","2","293","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Nb3.63 Sc2 Sn5 -","- Nb3.6358 Sc2 Sn5 -","- Nb14.5432 Sc8 Sn20 -","4","0.25","","Cheng-Yang Yue; Xiao-Wu Lei","Syntheses and Structures of Sc2Nb4-xSn5, YNb6Sn6, and ErNb6Sn5: Exploratory Studies in Ternary Rare-Earth Niobium Stannides","Inorganic Chemistry","2012","51","","2461","2471","10.1021/ic202414h","","","0.71073","MoKα","","0.0105","0.0094","","","0.018","0.0187","","","","","","1.171","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4331543","18.463","0.004","20.759","0.004","22.208","0.004","90","","90","","90","","8512","3","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C72 H80 N20 O20 Pd4 -","- C72 H80 N20 O20 Pd4 -","- C288 H320 N80 O80 Pd16 -","4","0.25","","Yu, Shu-Yan; Huang, Hai-Ping; Li, Sheng-Hui; Jiao, Qing; Li, Yi-Zhi; Wu, Biao; Sei, Yoshihisa; Yamaguchi, Kentaro; Pan, Yuan-Jiang; Ma, Hong-Wei","Solution self-assembly, spontaneous deprotonation, and crystal structures of bipyrazolate-bridged metallomacrocycles with dimetal centers.","Inorganic chemistry","2005","44","25","9471","9488","10.1021/ic0509332","","","0.71073","MoKα","","0.0802","0.0559","","","0.1143","0.1195","","","","","","1.089","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4332589","17.046","0.009","20.151","0.01","25.172","0.012","90","","90","","90","","8646","7","120","0.1","120","2","","","","","","","synthesis as described","5","I b a m","-I 2 2c","72","","","","- C36 H55 Mo2 O2 P2 -","- C36 H55 Mo2 O2 P2 -","- C288 H440 Mo16 O16 P16 -","8","0.5","","Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Ramos, Alberto; Ruiz, Miguel A.; Sáez, David; Vaissermann, Jacqueline","M−P versus MM Bonds as Protonation Sites in the Organophosphide-Bridged Complexes [M2Cp2(μ-PR2)(μ-PR‘2)(CO)2], (M = Mo, W; R, R‘ = Ph, Et, Cy)†","Inorganic Chemistry","2006","45","17","6965","6978","10.1021/ic060544n","","x-ray","0.71073","MoKα","","0.1195","0.1048","","","0.2908","0.309","","","","","","1.329","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4342219","7.0963","0.0005","11.8413","0.0006","13.1477","0.0009","90","","90","","90","","1104.79","0.12","100","2","100","2","","","","","","","synthesis as described","5","I b a m","-I 2 2c","72","","","","- C10 H10 F6 N2 Ti -","- C10 H10 F6 N2 Ti -","- C40 H40 F24 N8 Ti4 -","4","0.25","","Gautier, Romain; Gautier, Régis; Chang, Kelvin B.; Poeppelmeier, Kenneth R.","On the Origin of the Differences in Structure Directing Properties of Polar Metal Oxyfluoride [MOxF6-x](2-) (x = 1, 2) Building Units.","Inorganic chemistry","2015","54","4","1712","1719","10.1021/ic5026735","","x-ray","0.71069","MoKα","","0.072","0.054","","","0.1342","0.1401","","","","","","1.119","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4343036","26.881","0.003","28.411","0.003","36.617","0.004","90","","90","","90","","27965","5","296","2","296","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C100 H97 Cl3 Dy6 N24 O34 -","- C100 H78 Cl3 Dy6 N24 O34 -","- C800 H624 Cl24 Dy48 N192 O272 -","8","0.5","","Zhang, Li; Zhang, Peng; Zhao, Lang; Wu, Jianfeng; Guo, Mei; Tang, Jinkui","Anions Influence the Relaxation Dynamics of Mono-μ3-OH-Capped Triangular Dysprosium Aggregates.","Inorganic chemistry","2015","54","11","5571","5578","10.1021/acs.inorgchem.5b00702","","","0.71073","MoKα","","0.1388","0.068","","","0.2003","0.2567","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343267","20.745","0.002","8.3255","0.0008","17.3435","0.0017","90","","90","","90","","2995.4","0.5","291","2","291","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C24 H22 Cd3 N2 O17 -","- C24 H22 Cd3 N2 O17 -","- C96 H88 Cd12 N8 O68 -","4","0.25","","Su, Jian; Yao, Liudi; Zhao, Meng; Wang, Hui; Zhang, Qiong; Cheng, Longjiu; Zhang, Jun; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Structural Induction Effect of a Zwitterion Pyridiniumolate for Metal-Organic Frameworks.","Inorganic chemistry","2015","54","13","6169","6175","10.1021/acs.inorgchem.5b00180","","","0.71073","MoKα","","0.0528","0.0448","","","0.1903","0.1956","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344738","13.3451","0.0004","23.7349","0.0007","13.1709","0.0004","90","","90","","90","","4171.8","0.2","129.9","0.3","129.9","0.3","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C38 H30 Dy2 N6 Ni O20 -","- C38 H26 Dy2 N6 Ni O20 -","- C152 H104 Dy8 N24 Ni4 O80 -","4","0.25","","Zhang, Shaowei; Li, Han; Duan, Eryue; Han, Zongsu; Li, Leilei; Tang, Jinkui; Shi, Wei; Cheng, Peng","A 3D Heterometallic Coordination Polymer Constructed by Trimeric {NiDy2} Single-Molecule Magnet Units.","Inorganic chemistry","2016","55","3","1202","1207","10.1021/acs.inorgchem.5b02378","","","0.71073","MoKα","","0.0597","0.0519","","","0.1151","0.1192","","","","","","1.138","","","","has coordinates,has disorder","175607","2020-10-21","18:00:00",""
"4345511","17.25","0.04","17.57","0.04","16.79","0.03","90","","90","","90","","5089","19","397","2","397","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C60 Cd4 N36 P4 -","- C60 Cd4 N36 P4 -","- C120 Cd8 N72 P8 -","2","0.125","","Zhou, Lin; Zheng, Xuan; Shi, Ping-Ping; Zafar, Zainab; Ye, Heng-Yun; Fu, Da-Wei; Ye, Qiong","Switchable Nonlinear Optical and Tunable Luminescent Properties Triggered by Multiple Phase Transitions in a Perovskite-Like Compound.","Inorganic chemistry","2017","56","6","3238","3244","10.1021/acs.inorgchem.6b02508","","","0.71073","MoKα","","0.294","0.2197","","","0.433","0.4725","","","","","","1.159","","","","has coordinates","194808","2020-10-21","18:00:00",""
"4349445","18.845","0.0008","19.058","0.0007","26.3274","0.001","90","","90","","90","","9455.4","0.6","200","1","200","1","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C53 H38 Co F12 N6 P2 -","- C53 H38 Co F12 N6 P2 -","- C424 H304 Co8 F96 N48 P16 -","8","0.5","","Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc","Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes.","Inorganic chemistry","2017","56","10","5930","5940","10.1021/acs.inorgchem.7b00595","","","1.54178","CuKα","","0.0509","0.0408","","","0.1081","0.1146","","","","","","1.042","","","","has coordinates","233992","2020-10-21","18:00:00",""
"4349825","11.006","0.0019","22.801","0.004","24.571","0.004","90","","90","","90","","6166","1.8","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C26 H18 N32 O16 Zn5 -","- C26 H18 N32 O16 Zn5 -","- C104 H72 N128 O64 Zn20 -","4","0.25","","Li, Min-Yu; Zhang, Hai-Xia; Wang, Fei; Zhang, Jian","Synthesis of zeolitic tetrazolate-imidazolate frameworks (ZTIFs) in ethylene glycol","Inorganic Chemistry Frontiers","2018","5","3","675","","10.1039/C7QI00765E","","","0.71073","MoKα","","0.0533","0.0513","","","0.1871","0.1893","","","","","","1.212","","","","has coordinates","235866","2020-10-21","18:00:00",""
"4501187","12.098","0.002","16.807","0.003","34.29","0.007","90","","90","","90","","6972","2","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C64 H28 Br F6 I4 S8 -","- C64 H28 Br F6 I4 S8 -","- C256 H112 Br4 F24 I16 S32 -","4","0.25","","Lieffrig, Julien; Yamamoto, Hiroshi M.; Kusamoto, Tetsuro; Cui, Henbo; Jeannin, Olivier; Fourmigué, Marc; Kato, Reizo","Halogen-Bonded, Eight-fold PtS-Type Interpenetrated Supramolecular Network. A Study toward Redundant and Cross-Bar Supramolecular Nanowire Crystal","Crystal Growth & Design","2011","11","10","4267","","10.1021/cg200843w","","","0.71073","MoKα","","0.1289","0.075","","","0.1899","0.2163","","","","","","1.126","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501188","11.81","0.002","16.572","0.003","33.961","0.007","90","","90","","90","","6647","2","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C64 H28 Cl F6 I4 S8 -","- C64 H28 Cl F6 I4 S8 -","- C256 H112 Cl4 F24 I16 S32 -","4","0.25","","Lieffrig, Julien; Yamamoto, Hiroshi M.; Kusamoto, Tetsuro; Cui, Henbo; Jeannin, Olivier; Fourmigué, Marc; Kato, Reizo","Halogen-Bonded, Eight-fold PtS-Type Interpenetrated Supramolecular Network. A Study toward Redundant and Cross-Bar Supramolecular Nanowire Crystal","Crystal Growth & Design","2011","11","10","4267","","10.1021/cg200843w","","","0.71073","MoKα","","0.1846","0.0787","","","0.2064","0.2674","","","","","","0.893","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4503081","11.7155","0.0003","16.5374","0.0004","42.09","0.0008","90","","90","","90","","8154.7","0.3","100","2","100","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C100 H80.8 Cd2 Cl0.24 N6 S8 -","- C100 H80.8 Cd2 Cl0.24 N6 S8 -","- C400 H323.2 Cd8 Cl0.96 N24 S32 -","4","0.25","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Yu.; Lopatin, Dmitri V.; Rodaev, Vyacheslav V.; Saito, Gunzi; Náfrádi, Bálint; Forró, László; Lyubovskaya, Rimma N.","Supramolecular Approach to the Synthesis of [60]Fullerene−Metal Dithiocarbamate Complexes, {(MII(R2dtc)2)x·L}·C60(M = Zn, Cd, Hg, Fe, and Mn;x= 1 and 2). The Study of Magnetic Properties and Photoconductivity","Crystal Growth & Design","2008","8","4","1161","","10.1021/cg0702481","","","0.71073","MoKα","","0.0316","0.0252","","","0.0618","0.065","","","","","","1.075","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504129","9.3247","0.0016","17.011","0.003","31.447","0.006","90","","90","","90","","4988.2","1.6","273","2","273","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C18 H18 Cu2 I2 N3 Nd O9 -","- C18 H9 Cu2 I2 N3 Nd O9 -","- C144 H72 Cu16 I16 N24 Nd8 O72 -","8","0.5","","Gu, Xiaojun; Xue, Dongfeng","Incorporating Metal Clusters into Three-Dimensional Ln(III)−Cu(I) Coordination Frameworks through Linear Ligands","Crystal Growth & Design","2007","7","9","1726","","10.1021/cg060836z","","","0.71073","MoKα","","0.033","0.0284","","","0.0816","0.0852","","","","","","0.858","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504169","14.427","0.009","24.973","0.001","9.901","0.006","90","","90","","90","","3567","3","133","2","133","2","","","","","","","","5","I b a m","-I 2 2c","72","","4-Bromophenylboronic acid hydrate","","- C6 H6 B Br O2.75 -","- C6 H6 B Br O2.75 -","- C96 H96 B16 Br16 O44 -","16","1","","Shimpi, Manishkumar R.; SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao","Supramolecular Architecture in Some 4-Halophenylboronic Acids","Crystal Growth & Design","2007","7","10","1958","","10.1021/cg060863p","","","0.71073","MoKα","","0.1099","0.0728","","","0.2058","0.2311","","","","","","1.011","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4504170","15.157","0.008","24.837","0.001","9.872","0.005","90","","90","","90","","3716","3","133","2","133","2","","","","","","","","5","I b a m","-I 2 2c","72","4-Iodophenylboronic acid hydrate","","","- C6 H6 B I O2.5 -","- C6 H6 B I O2.5 -","- C96 H96 B16 I16 O40 -","16","1","","Shimpi, Manishkumar R.; SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao","Supramolecular Architecture in Some 4-Halophenylboronic Acids","Crystal Growth & Design","2007","7","10","1958","","10.1021/cg060863p","","","0.71073","MoKα","","0.0862","0.0563","","","0.1554","0.1848","","","","","","1.021","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4504171","19.28","0.006","18.881","0.006","9.854","0.003","90","","90","","90","","3587.1","1.9","133","2","133","2","","","","","","","","5","I b a m","-I 2 2c","72","","4-Iodophenylboronic acid hydrate","","- C12 H12 B2 I2 O5 -","- C12 H12 B2 I2 O5 -","- C96 H96 B16 I16 O40 -","8","0.5","","Shimpi, Manishkumar R.; SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao","Supramolecular Architecture in Some 4-Halophenylboronic Acids","Crystal Growth & Design","2007","7","10","1958","","10.1021/cg060863p","","","0.71073","MoKα","","0.063","0.0525","","","0.1794","0.1951","","","","","","1.088","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4509997","12.277","0.004","22.291","0.007","45.968","0.014","90","","90","","90","","12580","7","120","","120","","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C49 H42 Ag1.5 F6 N6 O6 S2 Sb -","- C50 H42 Ag1.5 F6 N6 O7 S2 Sb -","- C400 H336 Ag12 F48 N48 O56 S16 Sb8 -","8","0.5","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.2095","0.1041","","","0.2893","0.3294","","","","","","0.868","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510766","8.472","0.003","16.208","0.007","19.816","0.008","90","","90","","90","","2721","1.9","110","2","110","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H8 N1.2 O21.8 P6 Zn5 -","- C12 H8 N1.2 O21.8 P6 Zn5 -","- C48 H32 N4.8 O87.2 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","","","0.71073","MoKα","","0.0506","0.0358","","","0.1031","0.1079","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510767","8.43","0.005","16.155","0.012","19.84","0.011","90","","90","","90","","2702","3","110","2","110","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12.5 H6 N0.5 O22 P6 Zn5 -","- C12.5 H6 N0.5 O22 P6 Zn5 -","- C50 H24 N2 O88 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","","","0.71073","MoKα","","0.1105","0.0611","","","0.157","0.1869","","","","","","1.105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510768","8.44253","0.00017","16.285","0.0004","19.8132","0.0004","90","","90","","90","","2724.05","0.1","333","","333","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H6 N O22 P6 Zn5 -","- C12 H6 N O22 P6 Zn5 -","- C48 H24 N4 O88 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","powder diffraction","x-ray","0.6124","synchrotron","","0.0342","","","","","","","","1.78","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510769","8.29575","0.00018","16.4162","0.0004","19.7053","0.0005","90","","90","","90","","2683.56","0.11","423","","423","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H10 N O18 P6 Zn5 -","- C12 H10 N O18 P6 Zn5 -","- C48 H40 N4 O72 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","powder diffraction","x-ray","0.6124","synchrotron","","4.69","","","","","","","","2.25","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510770","8.472","0.003","16.208","0.007","19.816","0.008","90","","90","","90","","2721","1.9","110","2","110","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H14 N O22 P6 Zn5 -","- C12 H14 N O22 P6 Zn5 -","- C48 H56 N4 O88 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","","","0.71073","MoKα","","0.0503","0.0337","","","0.0829","0.0871","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512542","35.272","0.004","13.7758","0.0014","23.686","0.002","90","","90","","90","","11509","2","296","2","296","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C92 H88 Cu6 N26 O11 -","- C92 H88 Cu6 N26 O11 -","- C368 H352 Cu24 N104 O44 -","4","0.25","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.1501","0.0727","","","0.1813","0.2451","","","","","","1.069","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512862","10.4489","0.0009","21.5552","0.0019","38.344","0.003","90","","90","","90","","8636.1","1.3","296","2","296","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C39 H35 Ba N O12 S4 -","- C34 H22 Ba O10 S4 -","- C272 H176 Ba8 O80 S32 -","8","0.5","","Chen, Bin; Lv, Zhong-Peng; Leong, Chanel F.; Zhao, Yue; D’Alessandro, Deanna M.; Zuo, Jing-Lin","Crystal Structures, Gas Adsorption, and Electrochemical Properties of Electroactive Coordination Polymers Based on the Tetrathiafulvalene-Tetrabenzoate Ligand","Crystal Growth & Design","2015","15","4","1861","","10.1021/acs.cgd.5b00014","","","0.71073","MoKα","","0.1043","0.0952","","","0.2258","0.2297","","","","","","1.191","","","","has coordinates","179676","2020-10-21","18:00:00",""
"5900008","6.13","","11.53","","4.18","","90","","90","","90","","295.44","","","","","","","","","","","","","3","I b a m","","72","","Dimethylberyllium","","- C2 H6 Be -","- C2 H6 Be -","- C8 H24 Be4 -","4","0.25","","Snow, A. I.; Rundle, R. E.","The structure of dimethylberyllium","Acta Crystallographica","1951","4","4","348","352","10.1107/S0365110X51001100","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"6000346","5.4897","","5.5195","","7.1758","","90","","90","","90","","217.43","","","","","","","","","","","","","4","I b a m","","","","","","- Ag2 Bi O6 Ti2 -","","","","","","Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.","Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3","Chemistry of Materials","1999","11","","177","183","10.1021/cm9806533","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000514","36.551","0.015","13.029","0.004","26.208","0.008","90","","90","","90","","12481","7","293","2","293","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C62 H144 Cu10 I12 N10 S8 W2 -","- C62 H40 Cu10 I12 N10 S8 W2 -","- C248 H160 Cu40 I48 N40 S32 W8 -","4","0.25","","Huang, Yu-Jian; Song, Ying-Lin; Chen, Yang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Formation of dimeric and polymeric W/Cu/S clusters via degradation or expansion of the cluster core in [Et4N]4[WS4Cu4I6]","Dalton Transactions","2009","","8","1411","","10.1039/b816312j","","","0.71073","MoKα","","0.1217","0.0556","","","0.1321","0.1424","","","","","","1.067","","","","has coordinates,has disorder","179683","2020-10-21","18:00:00",""
"7003143","32.9872","0.0019","9.8259","0.0006","23.0204","0.0013","90","","90","","90","","7461.6","0.8","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C40 H52 N4 O2 Zn -","- C40 H52 N4 O2 Zn -","- C320 H416 N32 O16 Zn8 -","8","0.5","","Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Kleij, Arjan W.","Autocatalytic demetalation of a Zn(salphen) complex provoked by unprotected N-heterocycles","Dalton Transactions","2008","","6","734","737","10.1039/b713039b","","","0.71073","MoKα","","0.0386","0.0307","","","0.085","0.0899","","","","","","1.033","","","","has coordinates,has disorder","179735","2020-10-21","18:00:00",""
"7021219","44.625","0.0002","19.727","0.00015","29.019","0.0003","90","","90","","90","","25545.9","0.3","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C53 H72.5 N6.5 O27.5 Zn5 -","- C31 H18 N O22 Zn5 -","- C496 H288 N16 O352 Zn80 -","16","1","","Wang, Hai-Ning; Yang, Guang-Sheng; Wang, Xin-Long; Su, Zhong-Min","pH-induced different crystalline behaviors in extended metal-organic frameworks based on the same reactants.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6294","6297","10.1039/c3dt32958e","","","0.71073","MoKα","","0.0947","0.0612","","","0.1629","0.1755","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033070","23.711","0.005","8.9025","0.0018","33.427","0.007","90","","90","","90","","7056","3","293.15","","293.15","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C32 H42 Cu N14 O7 -","- C32 H42 Cu N14 O7 -","- C256 H336 Cu8 N112 O56 -","8","0.5","","Liu, Lu; Wu, Dongqing; Zhao, Bei; Han, Xiao; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Copper(II) coordination polymers: tunable structures and a different activation effect of hydrogen peroxide for the degradation of methyl orange under visible light irradiation.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1406","1411","10.1039/c4dt02440k","","","0.71073","MoKα","","0.0935","0.0741","","","0.162","0.1752","","","","","","1.07","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7035702","17.1961","0.0006","19.7707","0.0006","26.2271","0.0008","90","","90","","90","","8916.7","0.5","153","2","153","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C76 H86 Ag4 F24 N18 P4 -","- C76 H80 Ag4 F24 N18 P4 -","- C304 H320 Ag16 F96 N72 P16 -","4","0.25","","Schulte To Brinke, Christian; Ekkehardt Hahn, F.","Synthesis of a flexible macrocyclic tetraimidazolium salt-precursor for a tetracarbene ligand with metal dependent coordination modes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14315","14322","10.1039/c5dt02115d","","","1.54178","CuKα","","0.0591","0.0498","","","0.1373","0.1505","","","","","","1.04","","","","has coordinates,has disorder","153213","2020-10-21","18:00:00",""
"7039018","15.422","0.003","17.64","0.004","21.739","0.004","90","","90","","90","","5914","2","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C35 H18 Cu F7 N4 O3 -","- C35 H18 Cu F7 N4 O3 -","- C280 H144 Cu8 F56 N32 O24 -","8","0.5","","Huang, Yangjie; Ajitha, Manjaly J.; Huang, Kuo-Wei; Zhang, Zhongxing; Weng, Zhiqiang","A class of effective decarboxylative perfluoroalkylating reagents: [(phen)2Cu](O2CRF).","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8468","8474","10.1039/c6dt00277c","","","0.71073","MoKα","","0.0802","0.0731","","","0.2181","0.2262","","","","","","1.066","","","","has coordinates,has disorder","185430","2020-10-21","18:00:00",""
"7041375","22.0244","0.0017","43.315","0.003","13.8066","0.001","90","","90","","90","","13171.3","1.7","100","2","100","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H71 N6 O30 S3 V7 -","- C28 H73 N6 O30 S3 V7 -","- C224 H584 N48 O240 S24 V56 -","8","0.5","","Nachtigall, Olaf; Hagenbach, Adelheid; Wiecko, Jelena; Lentz, Dieter; Abram, Ulrich; Spandl, Johann","Functional polyoxometalates from solvothermal reactions of VOSO4 with tripodal alkoxides - a study on the reactivity of different ""tris"" derivatives.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","509","516","10.1039/c6dt03638d","","","0.71073","MoKα","","0.1044","0.0792","","","0.1673","0.1767","","","","","","1.139","","","","has coordinates,has disorder","191582","2020-10-21","18:00:00",""
"7046372","5.8233","0.0009","11.3102","0.0017","5.4324","0.0008","90","","90","","90","","357.79","0.09","100","2","100","2","","","","","","","","3","I b a m","-I 2 2c","72","Dimethylmagnesium","MgMe2,","","- C2 H6 Mg -","- C2 H6 Mg -","- C8 H24 Mg4 -","4","0.25","","Stuhl, Christoph; Anwander, Reiner","Dimethylmagnesium revisited","Dalton Transactions","2018","","","","","10.1039/C8DT01542B","","","0.71073","MoKα","","0.0261","0.0246","","","0.0662","0.0671","","","","","","1.093","","","","has coordinates","207813","2020-10-21","18:00:00",""
"7047269","23.106","0.003","11.6464","0.0014","18.61","0.002","90","","90","","90","","5008","1","298","2","298","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C19 H15 Er0.6 O12.5 Yb0.9 -","- C19 H10 Er0.6024 O12 Yb0.8976 -","- C152 H80 Er4.8192 O96 Yb7.1808 -","8","0.5","","Li, Mengxue; Gul, Salma; Tian, Dan; Zhou, Enlong; Wang, Yangbo; Han, Yingdong; Yin, Lisha; Huang, Ling","Erbium(iii)-based metal-organic frameworks with tunable upconversion emissions.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12868","12872","10.1039/c8dt02329h","","","0.71073","MoKα","","0.0918","0.0547","","","0.1316","0.1539","","","","","","0.992","","","","has coordinates,has disorder","229302","2020-10-21","18:00:00",""
"7055717","15.22","0.03","27.66","0.05","14.27","0.03","90","","90","","90","","6007","2","293","2","293","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C40 H60 B2 Fe2 Mn N18 O6 -","- C40 H50 B2 Fe2 Mn N18 O2 -","- C160 H200 B8 Fe8 Mn4 N72 O8 -","4","0.25","","Dong, Dapeng; Zhang, Yanjuan; Jiao, Chengqi; Zhao, Liang; Liu, Tao; Liu, Dedi; Li, Zhenghua; Liu, Jia; Liu, Dongping","Syntheses, structures, and magnetic properties of three new cyano-bridged heterobimetallic chains based on [Fe(Tp*)(CN)3]−","New J. Chem.","2016","40","10","8451","","10.1039/C6NJ01015F","","","0.71073","MoKα","","0.1238","0.0629","","","0.1644","0.1855","","","","","","1.004","","","","has coordinates","187162","2020-10-21","18:00:00",""
"7055718","15.022","0.009","26.818","0.017","13.992","0.009","90","","90","","90","","5637","6","273","2","273","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C40 H60 B2 Co Fe2 N18 O6 -","- C40 H48 B2 Co Fe2 N18 O2 -","- C160 H192 B8 Co4 Fe8 N72 O8 -","4","0.25","","Dong, Dapeng; Zhang, Yanjuan; Jiao, Chengqi; Zhao, Liang; Liu, Tao; Liu, Dedi; Li, Zhenghua; Liu, Jia; Liu, Dongping","Syntheses, structures, and magnetic properties of three new cyano-bridged heterobimetallic chains based on [Fe(Tp*)(CN)3]−","New J. Chem.","2016","40","10","8451","","10.1039/C6NJ01015F","","","0.71073","MoKα","","0.0875","0.0582","","","0.1642","0.1757","","","","","","1.041","","","","has coordinates","187162","2020-10-21","18:00:00",""
"7055719","14.97","0.02","27.32","0.04","14.14","0.02","90","","90","","90","","5783","14","273","2","273","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C40 H60 B2 Fe3 N18 O6 -","- C40 H50 B2 Fe3 N18 O2 -","- C160 H200 B8 Fe12 N72 O8 -","4","0.25","","Dong, Dapeng; Zhang, Yanjuan; Jiao, Chengqi; Zhao, Liang; Liu, Tao; Liu, Dedi; Li, Zhenghua; Liu, Jia; Liu, Dongping","Syntheses, structures, and magnetic properties of three new cyano-bridged heterobimetallic chains based on [Fe(Tp*)(CN)3]−","New J. Chem.","2016","40","10","8451","","10.1039/C6NJ01015F","","","0.71073","MoKα","","0.104","0.0579","","","0.1421","0.1618","","","","","","1.039","","","","has coordinates","187162","2020-10-21","18:00:00",""
"7060752","21.4898","0.0012","25.2933","0.0009","33.1199","0.0016","90","","90","","90","","18002.3","1.5","100","","100","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C17 H7 N O18 Zr3 -","- C17 H7 N O18 Zr3 -","- C272 H112 N16 O288 Zr48 -","16","1","","Radha, Govu; Leelasree, T.; Muthukumar, D.; Pillai, Renjith S.; Aggarwal, Himanshu","Highly selective detection of TNP over other nitro compounds in water: the role of selective host‒guest interactions in Zr-NDI MOF","New Journal of Chemistry","2021","45","29","12931","12937","10.1039/D1NJ02343H","","","1.54184","CuKα","","0.0976","0.0716","","","0.2115","0.2586","","","","","","1.0766","","","","has coordinates","268836","2021-09-06","11:57:45",""
"7100501","10.4301","0.0013","23.494","0.003","6.0885","0.0007","90","","90","","90","","1491.9","0.3","86","2","86","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- C8 H14 N18 -","- C8 H14 N18 -","- C32 H56 N72 -","4","0.25","","J. M. Shreeve; Brendan Twamley; Ji-Chang Xiao.; Chengfeng Ye.","Energetic salts of azotetrazolate, iminobis(5-tetrazolate) and 5, 5'-bis(tetrazolate)","Chemical Communications","2005","","","","","10.1039/b502583d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180107","2020-10-21","18:00:00",""
"7101053","22.2467","0.0004","24.4885","0.0005","19.6433","0.0004","90","","90","","90","","10701.4","0.4","230","2","230","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C72 H136 Cl6 Mg7 O12 -","- C71.996 H137.988 Cl6 Mg7 O12 -","- C287.984 H551.952 Cl24 Mg28 O48 -","4","0.25","","Richard A. Layfield; Thomas H. Bullock; Felipe Garcia; Simon M. Humphrey; Peter Schuler","The cationic cluster Grignard [{MgCl(thf)2}3(mu3-C3H5)2]+","Chemical Communications","2006","","","","","10.1039/b602059c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7102193","20.44","0.003","16.67","0.002","19.133","0.003","90","","90","","90","","6519.2","1.5","173","2","173","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C62 H110 Ge2 O2 P2 S2 -","- C62 H110 Ge2 O2 P2 S2 -","- C248 H440 Ge8 O8 P8 S8 -","4","0.25","","Petrar, Petronela Maria; Nemes, Gabriela; Silaghi-Dumitrescu, Ioan; Ranaivonjatovo, Henri; Gornitzka, Heinz; Escudié, Jean","1,3-Digermacyclobutanes with exocyclic C=P and C=P=S double bonds.","Chemical communications (Cambridge, England)","2007","","40","4149","4151","10.1039/b708308d","","","0.71073","MoKα","","0.094","0.0504","","","0.1037","0.1217","","","","","","1.049","","","","has coordinates,has disorder","180123","2020-10-21","18:00:00",""
"7102370","14.669","0.007","16.833","0.008","24.743","0.011","90","","90","","90","","6109","5","298","2","298","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C21 H30 Cu2 N3 O15.5 -","- C21 H17 Cu2 N3 O15.5 -","- C168 H136 Cu16 N24 O124 -","8","0.5","","McManus, Gregory J; Wang, Zhenqiang; Beauchamp, Derek A; Zaworotko, Michael J","A novel metal-organic ternary topology constructed from triangular, square and tetrahedral molecular building blocks.","Chemical communications (Cambridge, England)","2007","","48","5212","5213","10.1039/b712905j","","","0.71073","MoKα","","0.1534","0.0671","","","0.1612","0.1883","","","","","","0.882","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106212","15.729","0.003","23.17","0.005","9.7372","0.0019","90","","90","","90","","3548.6","1.2","173","2","173","2","","","","","","","","5","I b a m","-I 2 2c","72","Zinc-1,4-benzenediphosphonatodiethylester","Zinc-1,4-benzenediphosphonatodiethylester","","- C11 H16 O6 P2 Zn -","- C11 H16 O6 P2 Zn -","- C88 H128 O48 P16 Zn8 -","8","0.5","","Simon S. Iremonger; Junmei Liang; Ramanathan Vaidhyanathan; George K. H. Shimizu","A permanently porous van der Waals solid by using phosphonate monoester linkers in a metal organic framework.","Chem.Commun.","2011","47","","4430","","10.1039/c0cc04779a","","","0.71073","MoKα","","0.083","0.0609","","","0.1556","0.1694","","","","","","0.978","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7108768","32.769","0.009","44.126","0.012","24.11","0.006","90","","90","","90","","34862","16","123","2","123","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C93 H85 Ag6 Cl3 F36 N12 O24 P6 -","- C92 H84 Ag6 F36 N12 O24 P6 -","- C736 H672 Ag48 F288 N96 O192 P48 -","8","0.5","","Qihui Chen; Feilong Jiang; Daqiang Yuan; Lian Chen; Guangxun Lyu; Maochun Hong","Anion-driven self-assembly: from discrete cages to infinite polycatenanes step by step","Chem.Commun.","2013","49","","719","","10.1039/c2cc36921d","","","0.71073","MoKα","","0.1449","0.1053","","","0.2883","0.3247","","","","","","1.039","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7111894","19.7757","0.0002","44.7064","0.0005","28.6303","0.0003","90","","90","","90","","25312.1","0.5","173","2","173","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C27 H9 O22 Zn5 -","- C27 H9 O22 Zn5 -","- C432 H144 O352 Zn80 -","16","1","","Jinjie Qian; Feilong Jiang; Linjie Zhang; Kongzhao Su; Jie Pan; Qipeng Li; Daqiang Yuan; Maochun Hong","Unusual pore structure and sorption behaviour in a hexanodal zinc-organic framework material","Chem.Commun.","2014","50","","1678","","10.1039/c3cc48556k","","","1.54184","CuKα","","0.096","0.085","","","0.2496","0.2709","","","","","","1.072","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7114912","7.4757","0.0017","12.837","0.002","15.362","0.002","90","","90","","90","","1474.2","0.4","173","2","173","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C10 H10 Cl6 N2 Pt -","- C10 H10 Cl6 N2 Pt -","- C40 H40 Cl24 N8 Pt4 -","4","0.25","","Dolling, Ben; Gillon, Amy L.; Orpen, A. Guy; Starbuck, Jonathan; Wang, Xi-Meng","Homologous families of chloride-rich 4,4′-bipyridinium salt structures","Chemical Communications","2001","","6","567","","10.1039/b009467f","","","0.71073","MoKα","","0.0206","0.0169","","","0.0463","0.0474","","","","","","1.16","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7114913","7.3602","0.001","12.8184","0.0018","15.606","0.002","90","","90","","90","","1472.4","0.3","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C10 H10 Cl6 N2 Os -","- C10 H10 Cl6 N2 Os -","- C40 H40 Cl24 N8 Os4 -","4","0.25","","Dolling, Ben; Gillon, Amy L.; Orpen, A. Guy; Starbuck, Jonathan; Wang, Xi-Meng","Homologous families of chloride-rich 4,4′-bipyridinium salt structures","Chemical Communications","2001","","6","567","","10.1039/b009467f","","","0.71073","MoKα","","0.0418","0.0237","","","0.0495","0.0539","","","","","","0.988","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7114962","14.3634","0.0019","27.535","0.004","7.2722","0.001","90","","90","","90","","2876.1","0.7","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C32 H32 N2 O8 -","- C32 H24 N2 O8 -","- C128 H96 N8 O32 -","4","0.25","","Che, Chi-Ming; Wan, Chun-Wai; Lin, Wei-Zhu; Yu, Wing-Yiu; Zhou, Zhong-Yuan; Lai, W.-Y.; Lee, S.-T.","Highly luminous substituted bipyrroles","Chemical Communications","2001","","8","721","","10.1039/b009687n","","","0.71073","MoKα","","0.0901","0.0536","","","0.1484","0.1674","","","","","","0.963","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7116418","36.006","0.003","6.013","0.0005","31.426","0.003","90","","90","","90","","6803.9","1","173","2","173","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C27 H16 O4 Zn -","- C27 H16 O4 Zn -","- C216 H128 O32 Zn8 -","8","0.5","","Xun-Gao Liu; Hui Wang; Bin Chen; Yang Zou; Zhi-Guo Gu; Zujin Zhao; Liang Shen","A luminescent metal-organic framework constructed using a tetraphenylethene-based ligand for sensing volatile organic compounds","Chem.Commun.","2015","51","","1677","","10.1039/C4cc08945F","","","0.71073","MoKα","","0.175","0.1294","","","0.3903","0.4214","","","","","","1.453","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7117940","23.95","0.0013","7.9241","0.0004","21.1235","0.0011","90","","90","","90","","4008.9","0.4","173","2","173","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C30 H36 F24 N4 P4 -","- C30 H36 F24 N4 P4 -","- C120 H144 F96 N16 P16 -","4","0.25","","Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss","Viologen cyclophanes: redox controlled host-guest interactions","Chem.Commun.","2015","51","","15772","","10.1039/C5cc06041A","","","0.71073","MoKα","","0.0938","0.0606","","","0.1694","0.1906","","","","","","1.046","","","","has coordinates","169187","2020-10-21","18:00:00",""
"7117943","11.8988","0.0004","21.8945","0.0007","25.6947","0.0008","90","","90","","90","","6693.9","0.4","173","2","173","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C58 H72 F30 N8 P5 -","- C58 H72 F30 N8 P5 -","- C232 H288 F120 N32 P20 -","4","0.25","","Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss","Viologen cyclophanes: redox controlled host-guest interactions","Chem.Commun.","2015","51","","15772","","10.1039/C5cc06041A","","","0.71073","MoKα","","0.0769","0.0578","","","0.1522","0.1685","","","","","","1.067","","","","has coordinates,has disorder","169187","2020-10-21","18:00:00",""
"7119171","12.5188","0.0005","15.3848","0.0007","42.5644","0.0017","90","","90","","90","","8197.9","0.6","100","2","100","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C70 H56 B Cd2 F4 N10 O8 -","- C70 H56 B Cd2 F4 N10 O8 -","- C280 H224 B4 Cd8 F16 N40 O32 -","4","0.25","","Thirumurugan Prakasam; Rana A. Bilbeisi; Matteo Lusi; John-Carl Olsen; Carlos Platas-Iglesias; Ali Trabolsi","Post-synthetic modifications of cadmium-based knots and links","Chem.Commun.","2016","52","","7398","","","","","1.54178","CuKα","","0.0792","0.0614","","","0.2078","0.2219","","","","","","1.449","","","","has coordinates,has disorder","186025","2020-10-21","18:00:00",""
"7120552","20.1749","0.0016","38.738","0.003","52.01","0.004","90","","90","","90","","40648","5","294","2","293.71","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C26 H26 Mo24 N9 O87 P2 Zn8 -","- C26 H26 Mo24 N9 O87 P2 Zn8 -","- C208 H208 Mo192 N72 O696 P16 Zn64 -","8","0.5","","Su, Zhong-Min; Li, Xiao-Xin; Shen, Feng-Cui; Liu, Jiang; Li, Shun-Li; Dong, Long-Zhang; Fu, Qiang; Lan, Ya-Qian","A High Stable Polyoxometalate-Based Metal-Organic Framework with ABW Zeolite-Like Structure","Chem. Commun.","2017","","","","","10.1039/C7CC05552H","","","0.71073","MoKα","","0.0769","0.0557","","","0.1534","0.1764","","","","","","1.044","","","","has coordinates,has disorder","199755","2020-10-21","18:00:00",""
"7125802","13.634","0.003","23.059","0.005","6.8383","0.0014","90","","90","","90","","2149.9","0.8","296","2","296","2","","","","","","","","4","I b a m","-I 2 2c","72","","4,10-di-tert-butyl-bis([1,2,3]dithiazolo)[5,4-a:5',4'-h]phenazine","","- C20 H20 N4 S4 -","- C20 H20 N4 S4 -","- C80 H80 N16 S16 -","4","0.25","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.0711","0.039","","","0.0929","0.1128","","","","","","1.057","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7126682","17.2986","0.0005","30.7451","0.0006","27.021","0.0006","90","","90","","90","","14371","0.6","103","2","103","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C25.5 H35.5 N3.5 O10 Si Zr1.5 -","- C15 H11 O8.5 Si Zr1.5 -","- C240 H176 O136 Si16 Zr24 -","16","1","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Evans, Arwyn; Isbell, Mark Antonin; Heng, Jerry Y. Y.; Lickiss, Paul D.; Davies, Robert P.","Stable metal-organic frameworks with low water affinity built from methyl-siloxane linkers.","Chemical communications (Cambridge, England)","2020","56","57","7905","7908","10.1039/d0cc01186j","","","0.71073","MoKα","","0.0963","0.0591","","","0.1665","0.1826","","","","","","1.014","","","","has coordinates","254881","2020-10-21","18:00:00",""
"7126683","17.2191","0.00016","30.6244","0.0002","27.1584","0.0003","90","","90","","90","","14321.3","0.2","100","2","100","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C24 H32 Hf1.5 N3 O9.5 Si -","- C15 H11 Hf1.5 O8.5 Si -","- C240 H176 Hf24 O136 Si16 -","16","1","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Evans, Arwyn; Isbell, Mark Antonin; Heng, Jerry Y. Y.; Lickiss, Paul D.; Davies, Robert P.","Stable metal-organic frameworks with low water affinity built from methyl-siloxane linkers.","Chemical communications (Cambridge, England)","2020","56","57","7905","7908","10.1039/d0cc01186j","","","1.54184","CuKα","","0.0502","0.0495","","","0.1438","0.1446","","","","","","1.083","","","","has coordinates,has disorder","254881","2020-10-21","18:00:00",""
"7130639","16.6412","0.0004","30.2391","0.0008","16.654","0.0008","90","","90","","90","","8380.5","0.5","173","2","173","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C38 H65 Al Fe N3 P3 -","- C38 H65 Al Fe N3 P3 -","- C304 H520 Al8 Fe8 N24 P24 -","8","0.5","","Gorgas, Nikolaus; White, Andrew J. P.; Crimmin, Mark Richard","Diverse Reactivity of an Iron–Aluminium Complex with Substituted Pyridines","Chemical Communications","2022","","","","","10.1039/D2CC04498F","","","1.54184","CuKα","","0.0797","0.0511","","","0.1152","0.1376","","","","","","1.042","","","","has coordinates,has disorder","277602","2022-09-02","21:58:03",""
"7133093","14.9083","0.001","8.1008","0.0005","12.162","0.0007","90","","90","","90","","1468.79","0.16","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes","Chemical Communications","2024","","","","","10.1039/D4CC01232A","","","0.71073","MoKα","","0.0278","0.0254","","","0.066","0.0676","","","","","","1.128","","","","has coordinates","292053","2024-05-27","21:56:44",""
"7133094","14.8851","0.0008","8.1225","0.0004","12.2203","0.0006","90","","90","","90","","1477.49","0.13","150","","150","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes","Chemical Communications","2024","","","","","10.1039/D4CC01232A","","","0.71073","MoKα","","0.0294","0.0262","","","0.0691","0.0717","","","","","","1.092","","","","has coordinates","292053","2024-05-27","21:56:45",""
"7133095","14.7778","0.001","8.2376","0.0006","12.5337","0.0008","90","","90","","90","","1525.77","0.18","350","","350","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes","Chemical Communications","2024","","","","","10.1039/D4CC01232A","","","0.71073","MoKα","","0.0376","0.0323","","","0.0877","0.093","","","","","","1.049","","","","has coordinates","292053","2024-05-27","21:56:45",""
"7133096","14.8065","0.0007","8.2051","0.0003","12.4448","0.0005","90","","90","","90","","1511.9","0.11","300","","300","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes","Chemical Communications","2024","","","","","10.1039/D4CC01232A","","","0.71073","MoKα","","0.0336","0.0302","","","0.0851","0.0883","","","","","","1.065","","","","has coordinates","292053","2024-05-27","21:56:45",""
"7133097","14.8624","0.0004","8.1463","0.0002","12.2872","0.0003","90","","90","","90","","1487.66","0.07","200","","200","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes","Chemical Communications","2024","","","","","10.1039/D4CC01232A","","","0.71073","MoKα","","0.0325","0.0287","","","0.0799","0.0837","","","","","","1.065","","","","has coordinates","292053","2024-05-27","21:56:45",""
"7133098","14.8279","0.0004","8.1752","0.0002","12.366","0.0003","90","","90","","90","","1499.02","0.07","250","","250","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes","Chemical Communications","2024","","","","","10.1039/D4CC01232A","","","0.71073","MoKα","","0.0328","0.0297","","","0.0795","0.0819","","","","","","1.097","","","","has coordinates","292053","2024-05-27","21:56:45",""
"7133099","14.7531","0.0007","8.2731","0.0004","12.6466","0.0005","90","","90","","90","","1543.57","0.12","400","","400","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes","Chemical Communications","2024","","","","","10.1039/D4CC01232A","","","0.71073","MoKα","","0.0415","0.0341","","","0.0934","0.0997","","","","","","1.063","","","","has coordinates","292053","2024-05-27","21:56:45",""
"7158420","15.8734","0.0006","17.3509","0.0007","6.6216","0.0003","90","","90","","90","","1823.71","0.13","193","2","193","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H8 F N3 -","- C10 H8 F N3 -","- C80 H64 F8 N24 -","8","0.5","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0471","0.0398","","","0.1093","0.1184","","","","","","1.083","","","","has coordinates","272749","2022-02-04","19:58:58",""
"7203080","18.473","0.004","37.249","0.007","15.502","0.003","90","","90","","90","","10667","4","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H24 Cu4 I4 N4 -","- C12 H18 Cu4 I4 N4 -","- C192 H288 Cu64 I64 N64 -","16","1","","Bi, Minghui; Li, Guanghua; Hua, Jia; Liu, Xiaomin; Hu, Yawei; Shi, Zhan; Feng, Shouhua","A coordination polymer of copper(i) iodide with 654 topology constructed from Cu4I4(DABCO)4","CrystEngComm","2007","9","11","984","","10.1039/b709852a","","","0.71073","MoKα","","0.1473","0.0771","","","0.21","0.253","","","","","","1.021","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203114","25.249","0.002","6.2859","0.0009","12.6954","0.0013","90","","90","","90","","2014.9","0.4","295","2","295","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C6 H9 Ag N3 O4 -","- C6 H5 Ag N3 O4 -","- C48 H40 Ag8 N24 O32 -","8","0.5","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.028","0.0258","","","0.0588","0.0603","","","","","","1.03","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203423","7.191","0.003","35.436","0.014","13.048","0.005","90","","90","","90","","3325","2","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Cl4 Fe S4 Se8 -","- C16 H8 Br4 Cl4 Fe S4 Se8 -","- C64 H32 Br16 Cl16 Fe4 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.163","0.0621","","","0.1555","0.2128","","","","","","0.796","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203424","7.205","0.003","35.506","0.015","13.063","0.005","90","","90","","90","","3342","2","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Cl4 Ga S4 Se8 -","- C16 H8 Br4 Cl4 Ga S4 Se8 -","- C64 H32 Br16 Cl16 Ga4 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1431","0.0653","","","0.1541","0.2009","","","","","","0.789","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203427","7.3104","0.0015","35.755","0.008","13.552","0.003","90","","90","","90","","3542.3","1.3","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Cl4 Fe I4 S4 Se8 -","- C16 H8 Cl4 Fe I4 S4 Se8 -","- C64 H32 Cl16 Fe4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.0567","0.0385","","","0.1045","0.1266","","","","","","1.061","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203428","7.313","0.003","35.766","0.013","13.558","0.005","90","","90","","90","","3546","2","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Cl4 Ga I4 S4 Se8 -","- C16 H8 Cl4 Ga I4 S4 Se8 -","- C64 H32 Cl16 Ga4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1263","0.064","","","0.1482","0.1831","","","","","","0.86","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203429","7.317","0.002","36.582","0.012","13.569","0.004","90","","90","","90","","3632","1.9","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Fe I4 S4 Se8 -","- C16 H8 Br4 Fe I4 S4 Se8 -","- C64 H32 Br16 Fe4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.0913","0.0534","","","0.126","0.1552","","","","","","1.007","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203430","7.3241","0.0017","36.602","0.009","13.58","0.003","90","","90","","90","","3640.5","1.5","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Fe I4 S4 Se8 -","- C16 H8 Br4 Fe I4 S4 Se8 -","- C64 H32 Br16 Fe4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.0678","0.0416","","","0.1159","0.137","","","","","","0.913","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7206294","9.959","0.003","11.667","0.003","6.3044","0.0011","90","","90","","90","","732.5","0.3","293","","293","","","","400000","","","","","3","I b a m","-I 2 2c","72","","","","- C3 H4 O2 -","- C3 H4 O2 -","- C24 H32 O16 -","8","0.5","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0761","0.0427","","0.1187","0.0931","0.1187","","","","","","1.0324","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7207074","9.2137","0.0014","28.298","0.003","20.62","0.002","90","","90","","90","","5376.2","1.1","296","2","296","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C28 H25 Co N3 O5 -","- C28 H17 Co N3 O5 -","- C224 H136 Co8 N24 O40 -","8","0.5","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.07","0.0621","","","0.1793","0.1842","","","","","","1.03","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7208893","8.2507","0.0009","12.4085","0.0013","7.0259","0.0012","90","","90","","90","","719.3","0.16","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C6 H10 N2 O4 -","- C6 H10 N2 O4 -","- C24 H40 N8 O16 -","4","0.25","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0569","","","","0.1873","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208894","8.1716","0.0004","12.468","0.0005","7.2307","0.0003","90","","90","","90","","736.69","0.06","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C6 H2 O4 Rb2 -","- C6 H2 O4 Rb2 -","- C24 H8 O16 Rb8 -","4","0.25","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0433","","","","0.1216","","","","","","1.13","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7209349","7.343","","10.415","","7.007","","90","","90","","90","","535.877","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Ag Nb3 O8 -","- Ag Nb3 O8 -","- Ag4 Nb12 O32 -","4","0.25","","Wildenauer, M.; Range, K.J.","AgNb3O8-II, eine Hochdruckphase mit neuartiger Tunnelstruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1989","44","","499","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7209378","5.974","","9.945","","5.694","","90","","90","","90","","338.289","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Li Ag3 O2","","- Ag3 Li O2 -","- Ag3 Li O2 -","- Ag12 Li4 O8 -","4","0.25","","Jansen, M.","Darstellunq und Kristallstruktur von Li Ag3 O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1975","30","","854","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209379","6.159","","10.439","","5.972","","90","","90","","90","","383.963","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Na Ag3 O2","","- Ag3 Na O2 -","- Ag3 Na O2 -","- Ag12 Na4 O8 -","4","0.25","","Jansen, M.","Ueber Na Ag3 O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1976","31","","1544","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210403","12.616","0.004","18.479","0.005","20.409","0.006","90","","90","","90","","4758","2","113","2","113","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C20 H27 Ag F6 N4 O1.5 P -","- C20 H22 Ag F6 N4 O1.5 P -","- C160 H176 Ag8 F48 N32 O12 P8 -","8","0.5","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0287","0.0276","","","0.078","0.079","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211857","26.3998","0.0015","11.3528","0.0006","22.2355","0.0012","90","","90","","90","","6664.2","0.6","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C50 H68 Fe N18 O36 -","- C50 H44 Fe N18 O36 -","- C200 H176 Fe4 N72 O144 -","4","0.25","","Abouelwafa, Ahmed S.; Mereacre, Valeriu; Balaban, Teodor S.; Anson, Christopher E.; Powell, Annie K.","Photo- and thermally-enhanced charge separation in supramolecular viologen‒hexacyanoferrate complexes","CrystEngComm","2010","12","1","94","","10.1039/b915642a","","","0.71073","MoKα","","0.0819","0.0721","","","0.1928","0.2023","","","","","","0.991","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211858","26.442","0.003","11.3715","0.0012","22.311","0.002","90","","90","","90","","6708.6","1.2","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C50 H68 Fe N18 O36 -","- C50 H44 Fe N18 O36 -","- C200 H176 Fe4 N72 O144 -","4","0.25","","Abouelwafa, Ahmed S.; Mereacre, Valeriu; Balaban, Teodor S.; Anson, Christopher E.; Powell, Annie K.","Photo- and thermally-enhanced charge separation in supramolecular viologen‒hexacyanoferrate complexes","CrystEngComm","2010","12","1","94","","10.1039/b915642a","","","0.71073","MoKα","","0.0829","0.0692","","","0.1904","0.2028","","","","","","1.041","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7212215","14.1957","0.001","15.7796","0.0011","18.5297","0.0012","90","","90","","90","","4150.7","0.5","173","2","173","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C30 H52 Cd Cl2 N12 O12 -","- C30 H52 Cd Cl2 N12 O12 -","- C120 H208 Cd4 Cl8 N48 O48 -","4","0.25","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.0458","0.0432","","","0.1213","0.1241","","","","","","1.061","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212216","14.2829","0.0014","15.3547","0.0015","18.6193","0.0018","90","","90","","90","","4083.4","0.7","173","2","173","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C30 H40 Cd N14 O12 -","- C30 H40 Cd N14 O12 -","- C120 H160 Cd4 N56 O48 -","4","0.25","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.0574","0.0481","","","0.1039","0.1073","","","","","","1.072","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212217","14.128","0.008","16.005","0.01","18.14","0.011","90","","90","","90","","4102","4","173","2","173","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C30 H52 Cl2 Co N12 O12 -","- C30 H52 Cl2 Co N12 O12 -","- C120 H208 Cl8 Co4 N48 O48 -","4","0.25","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.0925","0.0699","","","0.1779","0.1941","","","","","","1.086","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7213775","13.2145","0.0011","24.934","0.002","27.184","0.002","90","","90","","90","","8956.9","1.2","296","2","296","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C68 H48 Cu4 Mo12 N12 O42 Si V2 -","- C68 H48 Cu4 Mo12 N12 O42 Si V2 -","- C272 H192 Cu16 Mo48 N48 O168 Si4 V8 -","4","0.25","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0716","0.0518","","","0.1347","0.1477","","","","","","1.046","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213776","13.2295","0.0008","24.9102","0.0017","27.2377","0.0019","90","","90","","90","","8976.2","1","296","2","296","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C68 H48 Cu4 Ge Mo12 N12 O42 V2 -","- C68 H48 Cu4 Ge Mo12 N12 O42 V2 -","- C272 H192 Cu16 Ge4 Mo48 N48 O168 V8 -","4","0.25","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0844","0.0602","","","0.1708","0.1923","","","","","","1.038","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213890","11.744","0.002","19.878","0.004","36.094","0.007","90","","90","","90","","8426","3","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C26 H16 Cu N2 O9 -","- C26 H16 Cu N2 O9 -","- C208 H128 Cu8 N16 O72 -","8","0.5","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MoKα","","0.1248","0.0793","","","0.2195","0.2488","","","","","","1.044","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7214401","32.119","0.003","12.8479","0.001","20.8244","0.0016","90","","90","","90","","8593.4","1.2","291","2","291","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C33 H34 N6 O14 Zn2 -","- C33 H34 N6 O14 Zn2 -","- C264 H272 N48 O112 Zn16 -","8","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0612","0.056","","","0.1495","0.1509","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219703","20.6958","0.0005","27.2441","0.0009","31.2425","0.0007","90","","90","","90","","17615.7","0.8","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C120 H102 Cu3 N18 O24 -","- C118 H102 Cu3 N17 O24 -","- C472 H408 Cu12 N68 O96 -","4","0.25","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.258","0.0864","","","0.2338","0.272","","","","","","0.851","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7222691","11.89","","6.08","","11.76","","90","","90","","90","","850.145","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","(Hg Br2) (Hg O)4","","- Br2 Hg5 O4 -","- Br2 Hg5 O4 -","- Br8 Hg20 O16 -","4","0.25","","Weiss, A.; Nagorsen, G.","Zur Kenntnis des Quecksilber(II)oxybromids Hg Br2 (Hg O)4: Ueber Quecksilberhalogenide V","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1954","9","","237","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","164153","2020-10-21","18:00:00",""
"7222821","9.6396","","11.3219","","5.6967","","90","","90","","90","","621.73","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Sm2 Ni3.47 Si4.53","","- Ni3.47 Si4.53 Sm2 -","- Ni3.474 Si4.526 Sm2 -","- Ni13.896 Si18.104 Sm8 -","4","0.25","","Zhuravleva, M.A.; Kanatzidis, M.G.","Molten gallium as a non-reactive solvent: synthesis of the silicides RE2 Ni3+x Si5-x (RE = Sm, Gd and Tb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","649","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","165131","2020-10-21","18:00:00",""
"7222931","6.03","","5.76","","9.76","","90","","90","","90","","338.992","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Si Se2","","- Se2 Si -","- Se2 Si -","- Se8 Si4 -","4","0.25","","Weiss, A.","Die Kristallstruktur des Siliciumdiselenids","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1952","7","","483","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222961","9.76","","6.03","","5.76","","90","","90","","90","","338.992","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Si Se2","","- Se2 Si -","- Se2 Si -","- Se8 Si4 -","4","0.25","","Weiss, A.","Die Kristallstruktur des Siliciumdiselenids","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1952","7","","483","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222962","11.5","","6.02","","11.75","","90","","90","","90","","813.452","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Hg5 O4 Cl2","","- Cl2 Hg5 O4 -","- Cl2 Hg5 O4 -","- Cl8 Hg20 O16 -","4","0.25","","Weiss, A.; Nagorsen, G.","Zur Kenntnis des Quecksilber(II)oxychlorids Hg Cl2 (Hg O)4. Ueber Quecksilberhalogenide III","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1954","9","","81","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","169038","2020-10-21","18:00:00",""
"7224410","20.7803","0.0012","7.9154","0.0008","17.299","0.002","90","","90","","90","","2845.4","0.5","100","0.13","100","0.13","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C30 H18 Cd3 N2 O18 -","- C30 H18 Cd3 N2 O18 -","- C120 H72 Cd12 N8 O72 -","4","0.25","","Xing, Xiu-Shuang; Chen, Zi-Wei; Cai, Li-Zhen; Sun, Cai; Cai, Lin-Rong; Wang, Ming-Sheng; Guo, Guo-Cong","An electron-transfer photochromic metal‒organic framework (MOF) compound with long-lived charge-separated state and high-contrast photoswitchable luminescence","RSC Adv.","2016","","","","","10.1039/C5RA25707G","","","1.5418","CuKα","","0.0768","0.0394","","","0.0879","0.1067","","","","","","0.999","","","","has coordinates,has disorder","177038","2020-10-21","18:00:00",""
"7234780","11.4145","0.0002","11.5693","0.0002","17.3062","0.0003","90","","90","","90","","2285.42","0.07","323","2","323","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- C18 Co N10 -","- C17.96 Co N10 -","- C71.84 Co4 N40 -","4","0.25","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0491","0.0402","","","0.1145","0.1251","","","","","","1.115","","","","has coordinates","220095","2020-10-21","18:00:00",""
"7234784","11.3524","0.0003","11.5038","0.0003","17.1916","0.0004","90","","90","","90","","2245.15","0.1","323","2","323","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C18 H28 N10 Ni -","- C17.96 N10 Ni -","- C71.84 N40 Ni4 -","4","0.25","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.047","0.0382","","","0.1019","0.114","","","","","","1.091","","","","has coordinates","220099","2020-10-21","18:00:00",""
"7234788","11.5219","0.0004","11.5355","0.0004","17.3841","0.0005","90","","90","","90","","2310.54","0.13","323","2","323","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C18 H28 Fe N10 -","- C18 Fe N10 -","- C72 Fe4 N40 -","4","0.25","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0605","0.0445","","","0.127","0.1423","","","","","","1.037","","","","has coordinates","220103","2020-10-21","18:00:00",""
"7240068","9.7525","0.0003","20.6661","0.0006","6.358","0.0002","90","","90","","90","","1281.43","0.07","293","","293","","","","101","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.71073","MoKα","","0.0516","0.0218","","0.0788","0.0492","0.0788","","","","","","0.6939","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240069","9.7361","0.0008","20.626","0.013","6.3029","0.0007","90","","90","","90","","1265.7","0.8","293","","293","","","","160000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0348","0.0348","","0.0872","0.0872","0.0872","","","","","","1.0603","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240070","9.6689","0.0007","20.509","0.011","6.1816","0.0005","90","","90","","90","","1225.8","0.7","293","","293","","","","580000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0198","0.0198","","0.051","0.051","0.051","","","","","","0.9958","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240071","9.7551","0.0008","20.661","0.014","6.334","0.0007","90","","90","","90","","1276.6","0.9","293","","293","","","","110000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0351","0.0351","","0.0834","0.0834","0.0834","","","","","","1.166","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240072","9.7115","0.0008","20.57","0.013","6.2627","0.0007","90","","90","","90","","1251.1","0.8","293","","293","","","","290000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0266","0.0266","","0.0666","0.0666","0.0666","","","","","","0.9557","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240073","9.6376","0.0008","20.354","0.014","6.0986","0.0006","90","","90","","90","","1196.3","0.8","293","","293","","","","1030000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0332","0.0332","","0.0828","0.0828","0.0828","","","","","","0.9058","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240074","9.6249","0.0011","20.271","0.019","5.9805","0.001","90","","90","","90","","1166.8","1.1","293","","293","","","","1470000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0692","0.0692","","0.1547","0.1547","0.1547","","","","","","1.1468","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240075","9.5805","0.0009","20.129","0.016","5.8077","0.0009","90","","90","","90","","1120","0.9","293","","293","","","","2380000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0834","0.0834","","0.1883","0.1883","0.1883","","","","","","1.1635","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240076","9.5883","0.0009","20.186","0.015","5.8532","0.0009","90","","90","","90","","1132.9","0.9","293","","293","","","","1980000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0747","0.0747","","0.1705","0.1705","0.1705","","","","","","1.0492","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7244440","7.8055","0.0007","18.3374","0.0016","22.0881","0.0017","90","","90","","90","","3161.5","0.5","342.9","0.7","342.9","0.7","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0592","0.038","","","0.0744","0.0818","","","","","","1.036","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244447","7.7631","0.001","18.2826","0.0019","22.013","0.002","90","","90","","90","","3124.3","0.6","298","","298","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.056","0.0391","","","0.0814","0.0896","","","","","","1.0818","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244449","7.7326","0.0002","18.2993","0.0006","22.0376","0.0006","90","","90","","90","","3118.35","0.16","200","","200","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.047","0.038","","","0.0783","0.0814","","","","","","1.16","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244974","16.21","0.002","10.5207","0.0016","6.336","0.0009","90","","90","","90","","1080.5","0.3","123","","123","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0566","0.048","","","0.1277","0.1333","","","","","","0.979","","","","has coordinates,has disorder","275628","2022-05-24","22:30:44",""
"7244975","16.3415","0.001","10.6382","0.0006","6.3897","0.0004","90","","90","","90","","1110.81","0.12","123","","123","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C8 H14 N4 O4 Pd -","- C8 H14 N4 O4 Pd -","- C32 H56 N16 O16 Pd4 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0215","0.0207","","","0.0592","0.06","","","","","","1.093","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244976","16.2744","0.0011","10.6919","0.0007","6.3727","0.0004","90","","90","","90","","1108.88","0.13","123","","123","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C8 H14 N4 O4 Pt -","- C8 H14 N4 O4 Pt -","- C32 H56 N16 O16 Pt4 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0215","0.017","","","0.0439","0.0456","","","","","","1.111","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244977","10.5843","0.0008","16.3239","0.0011","6.3513","0.0004","90","","90","","90","","1097.36","0.13","123","","123","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C8 H14 N4 Ni0.54 O4 Pt0.45 -","- C8 H14 N4 Ni0.551 O4 Pt0.449 -","- C32 H56 N16 Ni2.204 O16 Pt1.796 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","","0.71073","MoKα","","0.0303","0.0229","","","0.0542","0.0561","","","","","","1.123","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244978","10.5483","0.0007","16.3439","0.001","6.3648","0.0004","90","","90","","90","","1097.29","0.12","123","","123","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C8 H14 N4 Ni0.6 O4 Pd0.4 -","- C8 H14 N4 Ni0.599 O4 Pd0.401 -","- C32 H56 N16 Ni2.396 O16 Pd1.604 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0251","0.0219","","","0.0538","0.0554","","","","","","1.103","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244979","16.3923","0.0012","10.6456","0.0007","6.398","0.0004","90","","90","","90","","1116.49","0.13","123","","123","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C8 H14 N4 O4 Pd0.5 Pt0.5 -","- C8 H14 N4 O4 Pd0.507 Pt0.493 -","- C32 H56 N16 O16 Pd2.028 Pt1.972 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","","0.71073","MoKα","","0.0277","0.0214","","","0.0572","0.0605","","","","","","1.089","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7245765","15.7981","0.0013","16.2656","0.0014","22.388","0.002","90","","90","","90","","5752.9","0.9","296","2","296.15","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C28 H29.5 Cd N3.5 O11 -","- C28 H29.5 Cd N3.5 O11 -","- C224 H236 Cd8 N28 O88 -","8","0.5","","Sun, Mingyang; Bai, Fengying; Guan, QingLin; Xing, Yongheng; Xu, Fen","Construction of naphthalenediimide-based cadmium complexes and application in iodine adsorption, photochromism and photocatalysis","CrystEngComm","2022","","","","","10.1039/D2CE01192A","","","0.71073","MoKα","","0.1462","0.0867","","","0.2523","0.2929","","","","","","1.066","","","","has coordinates","279041","2022-11-07","23:34:27",""
"7245766","15.6608","0.0014","16.669","0.0015","22.238","0.002","90","","90","","90","","5805.2","0.9","296.15","","296.15","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C26 H22 Cd N3.5 O11 -","- C26 H22 Cd N3.5 O11 -","- C208 H176 Cd8 N28 O88 -","8","0.5","","Sun, Mingyang; Bai, Fengying; Guan, QingLin; Xing, Yongheng; Xu, Fen","Construction of naphthalenediimide-based cadmium complexes and application in iodine adsorption, photochromism and photocatalysis","CrystEngComm","2022","","","","","10.1039/D2CE01192A","","","0.71073","MoKα","","0.0922","0.0678","","","0.2119","0.2448","","","","","","1.066","","","","has coordinates,has disorder","279041","2022-11-07","23:34:27",""
"7700934","14.4804","0.0004","25.1371","0.0007","29.5376","0.0007","90","","90","","90","","10751.5","0.5","173","","173","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C46 H60 Cl6 O3 S Zr -","- C46 H60 Cl6 O3 S Zr -","- C368 H480 Cl48 O24 S8 Zr8 -","8","0.5","","Song, Tingting; He, Jianghao; Liang, Liwei; Liu, Ning; Li, Feng; Tong, Xiaobo; Mu, Xiaoyue; Mu, Ying","Titanium and zirconium complexes bearing new tridentate [OSO] bisphenolato-based ligands: synthesis, characterization and catalytic properties for alkene polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13719","13731","10.1039/c9dt03225h","","","0.71073","MoKα","","0.1043","0.0822","","","0.208","0.2231","","","","","","1.081","","","","has coordinates","224485","2020-10-21","18:00:00",""
"7705080","6.011","0.002","11.876","0.004","14.133","0.006","90","","90","","90","","1008.9","0.6","273","2","273","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- Ag4 Cs4 S8 Sn2 -","- Ag4 Cs4 S8 Sn2 -","- Ag8 Cs8 S16 Sn4 -","2","0.125","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0747","0.0648","","","0.1546","0.1625","","","","","","1.082","","","","has coordinates,has disorder","256082","2020-10-21","18:00:00",""
"7707283","24.0221","0.0008","18.0186","0.0006","23.9879","0.0007","90","","90","","90","","10383","0.6","273.15","","273.15","","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C74 H149 B2 Fe6 N24 O12 S6 W2 -","- C74 H149 B2 Fe6 N24 O12 S6 W2 -","- C296 H596 B8 Fe24 N96 O48 S24 W8 -","4","0.25","","Xue, Lian; Xu, Gan; Wang, Zheng; Chen, Xu-Dong","Nitride-incorporated W-Fe-S double cubane clusters: terminal ligand substitutions and redox behaviors.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6840","6847","10.1039/d1dt00414j","","","0.71073","MoKα","","0.0465","0.0442","","","0.1235","0.1261","","","","","","1.083","","","","has coordinates,has disorder","266032","2021-06-05","18:38:37",""
"7707593","13.861","0.003","20.5434","0.0017","23.789","0.0018","90","","90","","90","","6774","1.7","291","0.2","291","0.2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C40 H78.67 Cu4 F14 N16 O5.33 P2 -","- C40 H78.6664 Cu4 F14 N16 O5.3332 P2 -","- C160 H314.666 Cu16 F56 N64 O21.3328 P8 -","4","0.25","","Pitarch-Jarque, Javier; Jiménez, Hermas R; Kalenius, Elina; Blasco, Salvador; Lopera, Alberto; Clares, M. Paz; Rissanen, Kari; García-España, Enrique","Selective encapsulation of a chloride anion in a 1<i>H</i>-pyrazole Cu<sup>2+</sup> metallocage.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9010","9015","10.1039/d1dt01302e","","","0.7107","MoKα","","0.2068","0.0835","","","0.2034","0.252","","","","","","0.921","","","","has coordinates,has disorder","268768","2021-09-06","11:13:24",""
"7709443","29.4109","0.0011","13.3976","0.0005","26.8483","0.0009","90","","90","","90","","10579.2","0.7","120","2","120","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C240 H576 In48 N48 Se96 -","- In48 Se96 -","- In48 Se96 -","1","0.0625","","Xue, Chaozhuang; Lin, Jian; Zhang, Yifan; Liu, Zhiyang; Li, Rui; Gong, Shuwen; Qu, Konggang","New crystalline 1D/2D/3D indium selenides directed by piperidine and auxiliary solvents.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3248","3253","10.1039/d2dt00174h","","","0.71073","MoKα","","0.0399","0.03","","","0.1087","0.1254","","","","","","1.183","","","","has coordinates,has disorder","273364","2022-03-04","22:12:31",""
"7711098","19.2681","0.0009","24.4819","0.0012","26.1478","0.0012","90","","90","","90","","12334.4","1","173","2","173","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C78 H72 Cd4 F18 N32 O18 S6 -","- C78 H72 Cd4 F18 N32 O18 S6 -","- C312 H288 Cd16 F72 N128 O72 S24 -","4","0.25","","Thangavel, Muthu Kumar; Harrowfield, Jack; Bailly, Corinne; Karmazin, Lydia; Stadler, Adrian-Mihail","Modulation of the structural information in shape-defined heterocyclic strands: the case of a (pyridine-hydrazone)2pyrazine ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01684B","","","0.71073","MoKα","","0.1479","0.0938","","","0.2404","0.2882","","","","","","1.082","","","","has coordinates","277512","2022-08-31","22:55:47",""
"7713660","15.459","0.0008","26.826","0.002","14.072","0.0007","90","","90","","90","","5835.7","0.6","300","0.3","300","0.3","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C48 H64 B2 Fe3 N22 O6 -","- C48 H56 B2 Fe3 N22 O2 -","- C192 H224 B8 Fe12 N88 O8 -","4","0.25","","Wang, Jin-Hua; Javed, Mohammad Khurram; Li, Jia-Xin; Zhang, Yi-Quan; Li, Zhaoyang; Yamashita, Masahiro","Ferromagnetically coupled single-chain magnets exhibiting a magnetic hysteresis of 0.42 Tesla in cyano-bridged FeIII2MII (M = Ni, Fe) coordination polymers","Dalton Transactions","2023","","","","","10.1039/D3DT01043K","","x-ray","1.54178","CuKα","","0.0717","0.0687","","","0.2039","0.2082","","","","","","1.058","","","","has coordinates,has disorder","285576","2023-08-07","22:58:17",""
"7713661","15.2745","0.0005","26.0846","0.0015","13.874","0.0004","90","","90","","90","","5527.8","0.4","126","9","126","9","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C48 H64 B2 Fe2 N22 Ni O6 -","- C48 H63.9996 B2 Fe2 N22 Ni O6 -","- C192 H255.998 B8 Fe8 N88 Ni4 O24 -","4","0.25","","Wang, Jin-Hua; Javed, Mohammad Khurram; Li, Jia-Xin; Zhang, Yi-Quan; Li, Zhaoyang; Yamashita, Masahiro","Ferromagnetically coupled single-chain magnets exhibiting a magnetic hysteresis of 0.42 Tesla in cyano-bridged FeIII2MII (M = Ni, Fe) coordination polymers","Dalton Transactions","2023","","","","","10.1039/D3DT01043K","","x-ray","1.54178","CuKα","","0.0827","0.0693","","","0.1919","0.2043","","","","","","1.05","","","","has coordinates,has disorder","285576","2023-08-07","22:58:20",""
"8101569","25.234","0.004","13.985","0.002","12.425","0.002","90","","90","","90","","4385","3","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C10 H27 Cl6 N3 Se -","- C10 Cl6 N3 Se -","- C80 Cl48 N24 Se8 -","8","0.5","","Müller, Ulrich; Eckhoff, Brigitta","Crystal structure of bis(tetramethylammonium)-hexachloroselenate(IV‒ acetonitrile (1/1), [N(CH~3~)~4~]~2~[SeCl~6~] · CH~3~CN, a structure related to epasolite","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","505","506","","","","","","","","0.0583","","","0.1237","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8102957","7.4123","0.0011","12.955","0.003","6.4748","0.001","90","","90","","90","","621.8","0.2","173","2","173","2","","","","","","","","3","I b a m","-I 2 2c","72","Distrontium oxide diiodide","Distrontium oxide diiodide","","- I2 O Sr2 -","- I2 O Sr2 -","- I8 O4 Sr8 -","4","0.25","","Reckeweg, O.; DiSalvo, F. J.","Crystal structure of distrontium oxide diiodide, Sr~2~OI~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","271","272","","","","0.71073","MoKα","","0.0452","0.0308","","","0.0569","0.0598","","","","","","1.064","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103426","8.293","","10.746","","15.449","","90","","90","","90","","1376.76","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","K (Au S5)","","- Au K S5 -","- Au K S5 -","- Au8 K8 S40 -","8","0.5","","Klepp, K. O.; Weithaler, C.","Crystal structure of kalium pentathioaurate(I), KAuS~5~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","1","18","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103898","6.773","","13.194","","6.077","","90","","90","","90","","543.059","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Na3 (Al P2)","","- Al Na3 P2 -","- Al Na3 P2 -","- Al4 Na12 P8 -","4","0.25","","Somer, M.; von Schnering, H.G.; Carrillo-Cabrera, W.; Peters, E.M.; Peters, K.","Crystal structure of trisodium catena-di-mue-phosphidoaluminate, Na3 Al P2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","777","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104487","6.7331","","14.8089","","6.5736","","90","","90","","90","","655.452","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","K2 Na (Ga As2)","","- As2 Ga K2 Na -","- As2 Ga K2 Na -","- As8 Ga4 K8 Na4 -","4","0.25","","Somer, M.; Peters, K.; Peters, E.M.; von Schnering, H.G.","Crystal structure of dipotassium sodium catena-diarsenidogallate","Zeitschrift fuer Kristallographie (149,1979-)","1990","193","","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104488","6.7709","","15.288","","6.7829","","90","","90","","90","","702.122","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","K2 Na (In As2)","","- As2 In K2 Na -","- As2 In K2 Na -","- As8 In4 K8 Na4 -","4","0.25","","Somer, M.; Peters, K.; Peters, E.; von Schnering, H.G.","Crystal structure of dipotassium sodium catena-di-muearsenidoindate","Zeitschrift fuer Kristallographie (149,1979-)","1991","195","","97","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104512","6.613","","14.49","","6.401","","90","","90","","90","","613.359","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","K2 Na (Ga P2)","","- Ga K2 Na P2 -","- Ga K2 Na P2 -","- Ga4 K8 Na4 P8 -","4","0.25","","Somer, M.; Peters, K.; von Schnering, H.G.","Crystal structure of dipotassium sodium diphosphidogallate","Zeitschrift fuer Kristallographie (149,1979-)","1990","192","","267","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104515","6.6485","","14.8952","","6.6269","","90","","90","","90","","656.267","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","K2 Na In P2","","- In K2 Na P2 -","- In K2 Na P2 -","- In4 K8 Na4 P8 -","4","0.25","","Somer, M.; Peters, K.; von Schnering, H.G.","Crystal structure of dipotassium sodium catena-di-muephosphidoindate","Zeitschrift fuer Kristallographie (149,1979-)","1991","194","","131","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8106581","16.124","0.005","19.588","0.005","6.8155","0.0018","90","","90","","90","","2152.6","1","296","2","296","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C10 H10 Cl N O3 -","- C10 H10 Cl N O3 -","- C80 H80 Cl8 N8 O24 -","8","0.5","","Zhao, Chun-Shen; Wu, Ming-Yuan; Li, Fei; Liu, Li; Le, Yi","Crystal structure of methyl 2-acetamido-5-chlorbenzoate, C10H10ClNO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","493","494","10.1515/ncrs-2016-0336","","","0.71073","MoKα","","0.057","0.0424","","","0.1065","0.1186","","","","","","1.023","","","","has coordinates","280587","2023-01-25","09:30:26",""
"8106855","6.4183","0.0009","11.6262","0.0017","14.454","0.002","90","","90","","90","","1078.6","0.3","173","2","173","2","","","","","","","","3","I b a m","-I 2 2c","72","","dirubidium trimercury(II) tetraselenide","","- Hg3 Rb2 Se4 -","- Hg3 Rb2 Se4 -","- Hg12 Rb8 Se16 -","4","0.25","","Kim, Kang-Woo","Crystal structure of dirubidium trimercury(II) tetraselenide, Rb2Hg3Se4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","299","300","10.1515/ncrs-2015-0138","","","0.71073","MoKα","","0.0503","0.0381","","","0.126","0.1421","","","","","","1.085","","","","has coordinates","281690","2023-03-07","09:05:14",""
"9001640","11.619","","6.105","","11.71","","90","","90","","90","","830.637","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","","Pinchite","- Cl2 Hg5 O4 -","- Cl2 Hg5 O4 -","- Cl8 Hg20 O16 -","4","0.25","","Hawthorne, F. C.; Cooper, M. A.; Sen Gupta, P. K.","The crystal structure of pinchite, Hg5Cl2O4","American Mineralogist","1994","79","","1199","1203","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9008236","8.496","","9.983","","16.755","","90","","90","","90","","1421.08","","","","","","","","","","","","","5","I b a m","-I 2 2c","72","","","Banalsite","- Al4 Ba Na2 O16 Si4 -","- Al4 Ba Na2 O16 Si4 -","- Al16 Ba4 Na8 O64 Si16 -","4","0.25","","Takeuchi, Y.; Kudoh, Y.; Haga, N.","The interpretation of partial Patterson functions and its application to structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16","Zeitschrift fur Kristallographie","1973","138","","313","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9010623","9.005","","11.046","","9.349","","90","","90","","90","","929.938","","","","","","","","","","","","Great fissure Tolbachik eruption, Kamchatka Peninsula, Russia","5","I b a m","-I 2 2c","72","","","Leningradite","- Cl2 Cu3 O8 Pb V2 -","- Cl2 Cu3 O8 Pb V2 -","- Cl8 Cu12 O32 Pb4 V8 -","4","0.25","","Siidra, O. I.; Krivovichev, S. V.; Armbruster, T.; Filatov, S. K.; Pekov, I. V.","The crystal structure of leningradite, PbCu3(VO4)2Cl2 Locality: Great fissure Tolbachik eruption, Kamchatka Peninsula, Russia Note: Changed signs of Cu2(y) and Cl(y) by personal communication with Krivovichev","The Canadian Mineralogist","2007","45","","445","449","10.2113/gscanmin.45.3.445","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9012384","5.977","","11.577","","5.491","","90","","90","","90","","379.954","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","","Koutekite","- As2 Cu5 -","- As2 Cu5 -","- As8 Cu20 -","4","0.25","","Liebisch, W.; Schubert, K.","Zur struktur der mischung kupfer-arsen","Journal of the Less-Common Metals","1971","23","","231","236","10.1016/0022-5088(71)90086-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012848","7.242","","10.462","","7.001","","90","","90","","90","","530.436","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Na O8 Ta3 -","- Na O8 Ta3 -","- Na4 O32 Ta12 -","4","0.25","","Range, K. J.; Wildenauer, M.; Heyns, A. M.","Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 Note: data from ICSD","Angewandte Chemie","1988","100","","973","975","10.1002/ange.19881000721","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012849","7.3244","","10.31","","7.0426","","90","","90","","90","","531.819","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Na Nb3 O8 -","- Na Nb3 O8 -","- Na4 Nb12 O32 -","4","0.25","","Range, K. J.; Wildenauer, M.; Heyns, A. M.","Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 Note: data from ICSD","Angewandte Chemie","1988","100","","973","975","10.1002/ange.19881000721","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9017246","7.5549","","15.2342","","19.6418","","90","","90","","90","","2260.63","","","","","","","","","","","","Agua de Pau volcano, San Miguel Island, Azores District, Portugal","16","I b a m","-I 2 2c","72","","","Chiappinoite-(Y)","- Ca0.25 Ce0.18 Dy0.1 Er0.08 Fe0.09 Gd0.07 La0.07 Mn0.61 Na0.1 Nd0.09 O28 Pr0.02 Si12 Sm0.03 Y1.17 Yb0.06 -","- Ca0.25 Ce0.18 Dy0.1 Er0.08 Fe0.09 Gd0.07 La0.07 Mn0.61 Na0.1 Nd0.09 O28 Pr0.02 Si12 Sm0.03 Y1.17 Yb0.06 -","- Ca Ce0.72 Dy0.4 Er0.32 Fe0.36 Gd0.28 La0.28 Mn2.44 Na0.4 Nd0.36 O112 Pr0.08 Si48 Sm0.12 Y4.68 Yb0.24 -","4","0.25","","Kampf, A. R.; Housley, R. M.","Chiappinoite-(Y), Y2Mn(Si3O7)4, a new layer silicate found in peralkaline syenitic ejecta from the Agua de Pau volcano, Azores","European Journal of Mineralogy","2015","27","","91","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""