# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-14T19:26:56+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 4/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
"1000091","8.6633","0.0003","8.6633","0.0003","16.5252","0.0008","90","","90","","90","","1240.3","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Calcium lutetium fluoride (2.03/.97/7)","","- Ca2.028 F7 Lu0.972 -","- Ca2.0284 F7 Lu0.9716 -","- Ca20.284 F70 Lu9.716 -","10","0.625","","Laval, J P; Abaouz, A; Frit, B; Le Bail, A","Short-range order in the anion-excess fluorite-related Ca~0.68~Ln~0.32~F~2.32~ solid solutions: EXAFS study of the Ln^3+^ environment","Journal of Solid State Chemistry","1990","85","","133","143","10.1016/S0022-4596(05)80068-4","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001529","15.639","0.002","15.639","0.002","3.8317","0.0004","90","","90","","90","","937.2","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Phosphorus nonaniobium oxide","","- Nb9 O25 P -","- Nb9 O25 P -","- Nb18 O50 P2 -","2","0.125","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Redetermination of the structure of PNb~9~O~25~","Acta Crystallographica C (39,1983-)","1991","47","","849","850","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001810","18.17299","0.002","18.17299","0.002","2.836","0.001","90","","90","","90","","936.6","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Barium manganese oxide (6.3/24/48)","","- Ba6.3 Mn24 O48 -","- Ba6.3 Mn24 O48 -","- Ba6.3 Mn24 O48 -","1","0.0625","","Boullay, Ph; Hervieu, M; Raveau, B","A new manganite with an original composite tunnel structure: Ba6 Mn24 O48","Journal of Solid State Chemistry","1997","132","","239","248","10.1006/jssc.1997.7412","","","","","","0.114","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004080","9.866","0.004","9.866","0.004","3.131","0.002","90","","90","","90","","304.8","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Potassium Ruthenium oxide (2/8/16)","","- K2 O16 Ru8 -","- K2 O16 Ru8 -","- K2 O16 Ru8 -","1","0.0625","","Djafri, F; Canonne, J; Abraham, F; Thomas, D","Insertion de lithium dans la phase de structure Hollandite: K~x~ Ru~8~ O~16~ (x=1.5)","Journal of the Less-Common Metals","1985","109","","323","329","10.1016/0022-5088(85)90063-3","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004104","9.93","0.004","9.93","0.004","2.914","0.001","90","","90","","90","","287.3","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Bismuth vanadium oxide (1.7/8/16)","","- Bi1.62 O16 V8 -","- Bi1.624 O16 V8 -","- Bi1.624 O16 V8 -","1","0.0625","","Abraham, F; Mentre, O","Bi~1.7~V~8~O~16~ The first Bi-hollandite-type compound","Journal of Solid State Chemistry","1994","109","","127","133","10.1006/jssc.1994.1082","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008322","9.866","0.003","9.866","0.003","2.872","0.001","90","","90","","90","","279.6","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Potassium manganese oxide (1.33/8/16)","","- K1.33 Mn8 O16 -","- K1.3332 Mn8 O16 -","- K1.3332 Mn8 O16 -","1","0.0625","","Vicat, J; Fanchon, E; Strobel, P; Tran Qui, D","The Structure of K~1.33~ Mn~8~ O~16~ and Cation Ordering in Hollandite- Type Structures","Acta Crystallographica B (39,1983-)","1986","42","","162","167","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008514","10.317","0.007","10.317","0.007","2.98","0.001","90","","90","","90","","317.2","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Caesium titanium oxide (1.1/8/16)","","- Cs1.1 O16 Ti8 -","- Cs1.1 O16 Ti8 -","- Cs1.1 O16 Ti8 -","1","0.0625","","Fanchon, E; Hodeau, J L; Vicat, J; Watts, J A","Three-dimensional/one-dimensional transition in the Cs^+^ sublattice of the mixed valence CsTi~8~O~1~6 hollandite: structures at 297 and 673K","Journal of Solid State Chemistry","1991","92","","88","100","10.1016/0022-4596(91)90245-D","","","","","","0.109","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101180","8.9297","0.0003","8.9297","0.0003","34.847","0.002","90","","90","","90","","2778.6","0.2","90","2","90","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C4.5 H10 O3.5 P V0.5 -","- C4.5 H10 O3.5 P V0.5 -","- C72 H160 O56 P16 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1508122","25.8693","0.001","25.8693","0.001","39.125","0.003","90","","90","","90","","26183","2","110","2","110","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C192 H96 Cu24 O144 -","- C192 H96 Cu24 O144 -","- C384 H192 Cu48 O288 -","2","0.125","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.0645","0.0445","","","0.1107","0.1162","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508123","29.044","0.007","29.044","0.007","41.72","0.02","90","","90","","90","","35193","2","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C192 H72 Cu24 O192 S24 -","- C192 H72 Cu24 O192 S24 -","- C384 H144 Cu48 O384 S48 -","2","0.125","","Li, Jian-Rong; Zhou, Hong-Cai","Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.","Nature chemistry","2010","2","10","893","898","10.1038/nchem.803","","","0.71073","MoKα","","0.1378","0.0733","","","0.1397","0.1518","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509613","9.725","","9.725","","2.885","","90","","90","","90","","272.851","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ag1.8 Mn8 O16 -","- Ag1.8 Mn8 O16 -","- Ag1.8 Mn8 O16 -","1","0.0625","","Chang, F.M.; Jansen, M.","Ag1.8 Mn8 O16: quadratisch-planar koordinierte Ag(+) - Ionen in den Kanaelen einer neuartigen Hollanditvariante","Angewandte Chemie (German Edition)","1984","96","","902","903","10.1002/ange.19840961120","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510539","6.6534","","6.6534","","4.174","","90","","90","","90","","184.774","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Au4 Ho -","- Au4 Ho -","- Au8 Ho2 -","2","0.125","","Palenzona, A.; Gschneidner, K.A.jr.; Bruzzone, G.; McMasters, O.D.","Stoichiometry, crystal structure and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510541","6.628","","6.628","","4.128","","90","","90","","90","","181.345","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Au4 Yb -","- Au4 Yb -","- Au8 Yb2 -","2","0.125","","Iandelli, A.; Palenzona, A.","The yttrium-gold system","Journal of the Less-Common Metals","1969","18","","221","227","10.1016/0022-5088(69)90160-X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511446","11.4735","","11.4735","","9.8812","","90","","90","","90","","1300.77","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Zr6 Cl17 B","","- B Ba2 Cl17 Zr6 -","- B Ba2 Cl17 Zr6 -","- B2 Ba4 Cl34 Zr12 -","2","0.125","","Corbett, J.D.; Zhang, J.","Synthesis and Structure of Ba2 Zr6 Cl17 B, The Missing Link in Cluster Stoichiometries and Structures","Journal of the Less-Common Metals","1989","156","","49","58","10.1016/0022-5088(89)90406-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513656","21.1256","0.0006","21.1256","0.0006","27.4118","0.0014","90","","90","","90","","12233.6","0.8","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C10.5 H7.5 Cl0.75 N0.75 O17.88 V3 -","- C10.51 H7.52 Cl0.75 N0.755 O17.88 V3 -","- C168.16 H120.32 Cl12 N12.08 O286.08 V48 -","16","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.41328","","","0.094","0.0593","","","0.1797","0.2085","","","","","","1.091","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513660","21.1683","0.0005","21.1683","0.0005","27.3991","0.0015","90","","90","","90","","12277.5","0.8","396","2","396","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C88 H56 Cl6 N8 O139 V26.2 -","- C88 H56 Cl6 N8 O139.68 V26.2 -","- C176 H112 Cl12 N16 O279.36 V52.4 -","2","0.125","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.71073","MoKα","","0.1395","0.0791","","","0.2086","0.244","","","","","","1.144","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514025","9.993","0.011","9.993","0.011","2.853","0.003","90","","90","","90","","284.9","0.5","","","","","","","","","","","","3","I 4/m","-I 4","87","","(dilithium Oxide) (manganese(IV) Oxide) (0.12/1)","","- Li0.24 Mn O2.12 -","- Mn O2.12 -","- Mn8 O16.96 -","8","0.5","","Kijima, N.; Takahashi, Y.; Akimoto, J.; Awaka, J.","Lithium ion insertion and extraction reactions with Hollandite-type manganese dioxide free from any stabilizing cations in its tunnel cavity","Journal of Solid State Chemistry","2005","178","","2741","2750","10.1016/j.jssc.2005.06.023","","","","","","0.0131","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514116","9.7876","0.0003","9.7876","0.0003","2.865","0.0001","90","","90","","90","","274.459","0.015","","","","","","","","","","","","2","I 4/m","-I 4","87","","Manganese Oxide (1/2) - Alpha","","- Mn0.98 O2 -","- Mn0.98 O2 -","- Mn7.84 O16 -","8","0.5","","Rossouw, M. H.; Liles, D. C.; Thackeray, M. M.; David, W. I. F.; Hull, S.","Alpha manganese dioxide for lithium batteries: a structural and electrochemical study","Materials Research Bulletin","1992","27","","221","230","10.1016/0025-5408(92)90216-M","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514430","30.926","0.005","30.926","0.005","45.103","0.007","90","","90","","90","","43137","12","123","2","123","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C66 H111 Cu3 N19 O35 -","- C36 H15 Cu3 N9 O15 -","- C576 H240 Cu48 N144 O240 -","16","1","","Yan, Yong; Suyetin, Mikhail; Bichoutskaia, Elena; Blake, Alexander J.; Allan, David R.; Barnett, Sarah A.; Schröder, Martin","Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal‒organic polyhedral framework","Chemical Science","2013","4","4","1731","","10.1039/c3sc21769h","","","0.6889","Synchrotron","","0.0812","0.0649","","","0.189","0.201","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515541","8.7653","0.0002","8.7653","0.0002","13.8811","0.0005","90","","90","","90","","1066.49","0.05","90","","293","","","","","","","","","3","I 4/m","-I 4","87","","","","- Fe15.631 K8.622 Se20 -","- Fe15.6312 K8.622 Se20 -","- Fe15.6312 K8.622 Se20 -","1","0.0625","","Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B.","Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies","Chemical Science","2011","2","6","1054","","10.1039/c1sc00070e","","","0.6889","synchrotron","","0.1508","0.0572","","","0.0688","0.0937","","","","1.69","1.69","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515542","8.7788","0.0004","8.7788","0.0004","13.8604","0.0006","90","","90","","90","","1068.18","0.08","100","","100","","","","","","","","","3","I 4/m","-I 4","87","","","","- Fe15.29 K9.223 Se20 -","- Fe15.284 K9.222 Se20 -","- Fe15.284 K9.222 Se20 -","1","0.0625","","Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B.","Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies","Chemical Science","2011","2","6","1054","","10.1039/c1sc00070e","","","0.71069","MoKα","","0.0721","0.0578","","","0.0771","0.0849","","","","1.8","1.8","1.71","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516308","9.1454","0.0004","9.1454","0.0004","13.3651","0.0008","90","","90","","90","","1117.83","0.1","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C7 H14 F N O20 Si10 -","- C7 F N O20 Si10 -","- C14 F2 N2 O40 Si20 -","2","0.125","","Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.","Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure","The Journal of Physical Chemistry C","2010","114","14","6726","","10.1021/jp100368e","","","0.71073","MoKα","","0.0416","0.035","","","0.0916","0.0938","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516309","9.1827","0.0004","9.1827","0.0004","13.3572","0.0009","90","","90","","90","","1126.31","0.1","350","2","350","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C7 H14 F N O20 Si10 -","- C7 F N O20 Si10 -","- C14 F2 N2 O40 Si20 -","2","0.125","","Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.","Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure","The Journal of Physical Chemistry C","2010","114","14","6726","","10.1021/jp100368e","","","0.71073","MoKα","","0.0409","0.0353","","","0.0866","0.0885","","","","","","1.188","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516310","9.1666","0.0004","9.1666","0.0004","13.3662","0.0008","90","","90","","90","","1123.12","0.1","250","2","250","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C7 H14 F N O20 Si10 -","- C7 F N O20 Si10 -","- C14 F2 N2 O40 Si20 -","2","0.125","","Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.","Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure","The Journal of Physical Chemistry C","2010","114","14","6726","","10.1021/jp100368e","","","0.71073","MoKα","","0.0419","0.035","","","0.0886","0.091","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516311","9.154","0.0004","9.154","0.0004","13.3636","0.0008","90","","90","","90","","1119.81","0.1","200","2","200","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C7 H14 F N O20 Si10 -","- C7 F N O20 Si10 -","- C14 F2 N2 O40 Si20 -","2","0.125","","Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.","Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure","The Journal of Physical Chemistry C","2010","114","14","6726","","10.1021/jp100368e","","","0.71073","MoKα","","0.0417","0.0335","","","0.0888","0.0914","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516312","9.1379","0.0004","9.1379","0.0004","13.3657","0.0008","90","","90","","90","","1116.05","0.1","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C7 H14 F N O20 Si10 -","- C7 F N O20 Si10 -","- C14 F2 N2 O40 Si20 -","2","0.125","","Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.","Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure","The Journal of Physical Chemistry C","2010","114","14","6726","","10.1021/jp100368e","","","0.71073","MoKα","","0.0443","0.0355","","","0.0934","0.0966","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516313","9.1695","0.0018","9.1695","0.0018","13.344","0.011","90","","90","","90","","1122","1","296","2","296","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C7 H14 F N O20 Si10 -","- C7 F N O20 Si10 -","- C14 F2 N2 O40 Si20 -","2","0.125","","Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.","Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure","The Journal of Physical Chemistry C","2010","114","14","6726","","10.1021/jp100368e","","","0.71073","MoKα","","0.0406","0.0342","","","0.0855","0.0871","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517712","15.571","0.009","15.571","0.009","12.103","0.008","90","","90","","90","","2934","3","293","2","293","2","","","","","","","Synthesis","5","I 4/m","-I 4","87","","","","- C29 H20 O4 P2 Ru2 -","- C26 H14 O4 P2 Ru2 -","- C104 H56 O16 P8 Ru8 -","4","0.25","","Yomaira Otero; Alejandro Arce; Ysaura De Sanctis; Ruben Machado; Maria C. Goite; Teresa Gonzalez; Alexander Briceno","High versatility of 3,4-dimethyl-1-phenyl-phosphole and 3-methyl-1-phenyl-phosphole as ligands in the reaction with [Re2(CO)8(CH3CN)2] and [Ru3(CO)12]: X-ray structures of [Re2(CO)7(n1:n2:n2-PhPC4H2Me2)], [Re2(CO)7(n1:n2:n2-PhPC4H3Me)] and [Ru2(CO)4(PhPC4H3Me)2]","Inorganica Chimica Acta","2013","404","","77","81","","","","0.7107","MoKα","","0.1085","0.0911","","","0.2387","0.2572","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518887","29.682","0.007","29.682","0.007","41.882","0.012","90","","90","","90","","36899","16","","","213","","","","","","","","","6","I 4/m","-I 4","87","","","","- C336 H396 Cl12 N12 O108 Ru24 -","","","2","0.125","","Mark D. Young; Qiang Zhang; Hong-Cai Zhou","Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels","Inorganica Chimica Acta","2015","424","","216","220","10.1016/j.ica.2014.09.010","","x-ray","0.71069","MoKα","","","0.0829","","","0.2678","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1519033","13.803","0.003","13.803","0.003","7.013","0.003","90","","90","","90","","1336.1","0.7","","","293","","","","","","","","","3","I 4/m","-I 4","87","","","","- Al F5 Yb -","- Al2 F10.25 Yb2 -","- Al16 F82 Yb16 -","8","0.5","","Kohler, J.","Syntheses and structures of novel complex Yb(II) fluorides : YBeF4, YAlF5 and LiYbAlF6","Solid State Sciences","1999","1","","545","553","","","x-ray","0.71073","MoKα","","","0.0236","","","0.0478","","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519037","9.9304","0.0004","9.9304","0.0004","3.5243","0.0003","90","","90","","90","","347.54","0.04","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Nb5 Ni4 P4 -","- Nb5 Ni4 P4 -","- Nb10 Ni8 P8 -","2","0.125","","Charki, F.; Deputier, S.; Benard-Rocherulle, P.; Guerin, R.; Bouayed, M.; Le Beuze, A.; Saillard, J. Y.","An example of the coexistence of octahedral with tetrahedral metal clusters : the ternary phosphide Ni4Nb5P4. Structural and theoretical analyses","Solid State Sciences","1999","1","","607","622","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","0.056","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520769","12.7827","0.0008","12.7827","0.0008","7.505","0.0004","90","","90","","90","","1226.3","0.13","","","300","","","","","","","","","4","I 4/m","-I 4","87","","","","- C2 D4 O6 Sr -","- C2 D3.48 O5.26 Sr -","- C16 D27.84 O42.08 Sr8 -","8","0.5","","Christensen, A. Norlund; Hazell, R. G.","Thermal Analysis and Crystal Structure of Tetragonal Strontium Oxalate Dihydrate and of Triclinic Strontium Oxalate Hydrate","Acta Chemica Scandinavica","1998","52","","508","512","10.3891/acta.chem.scand.52-0508","powder diffraction","neutron","1.586","","","","","","","","","","","","","","","","","","has coordinates","140304","2020-10-21","18:00:00",""
"1520895","22.153","","22.153","","3.9426","","90","","90","","90","","1934.85","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Nd16 Ti5 S17 O17","","- Nd16 O17 S17 Ti5 -","- Nd16 O17 S17 Ti5 -","- Nd32 O34 S34 Ti10 -","2","0.125","","Boyer-Candalen, C.; Deudon, C.; Meerschaut, A.","Synthesis and structure determination of Nd16 Ti5 S17 O17","Journal of Solid State Chemistry","2000","152","","554","559","","","","","","","","","","","","","","","","","","","","","","has coordinates","140460","2020-10-21","18:00:00",""
"1521176","5.623","","5.623","","7.964","","90","","90","","90","","251.807","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Ba La Mg Ru O6","","- Ba La Mg O6 Ru -","- Ba La Mg O6 Ru -","- Ba2 La2 Mg2 O12 Ru2 -","2","0.125","","Hong, K.-P.; Choi, Y.-H.; Jung, D.-Y.; Kwon, Y.-U.; Lee, J.-S.; Lee, C.-H.; Shim, H.-S.","Atomic and magnetic long-range orderings in Ba La M Ru O6 (M = Mg and Zn)","Journal of Solid State Chemistry","2000","150","","383","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521177","5.6521","","5.6521","","7.9987","","90","","90","","90","","255.528","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Ba La Zn Ru O6","","- Ba La O6 Ru Zn -","- Ba La O6 Ru Zn -","- Ba2 La2 O12 Ru2 Zn2 -","2","0.125","","Hong, K.-P.; Choi, Y.-H.; Jung, D.-Y.; Kwon, Y.-U.; Shim, H.-S.; Lee, J.-S.; Lee, C.-H.","Atomic and magnetic long-range orderings in Ba La M Ru O6 (M = Mg and Zn)","Journal of Solid State Chemistry","2000","150","","383","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521256","5.5642","","5.5642","","8.6363","","90","","90","","90","","267.383","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Cu (W O6)","","- Ba2 Cu O6 W -","- Ba2 Cu O6 W -","- Ba4 Cu2 O12 W2 -","2","0.125","","Iwanaga, D.; Itoh, M.; Inaguma, Y.","Crystal structure and magnetic properties of B-site ordered perovskite-type oxides A2 Cu B' O6 (A = Ba, Sr; B'= W, Te)","Journal of Solid State Chemistry","1999","147","","291","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521258","5.429","","5.429","","8.4155","","90","","90","","90","","248.039","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Cu (W O6)","","- Cu O6 Sr2 W -","- Cu O6 Sr2 W -","- Cu2 O12 Sr4 W2 -","2","0.125","","Iwanaga, D.; Inaguma, Y.; Itoh, M.","Crystal structure and magnetic properties of B-site ordered perovskite-type oxides A2 Cu B' O6 (A = Ba, Sr; B'= W, Te)","Journal of Solid State Chemistry","1999","147","","291","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521260","5.4308","","5.4308","","8.4664","","90","","90","","90","","249.705","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Cu (Te O6)","","- Cu O6 Sr2 Te -","- Cu O6 Sr2 Te -","- Cu2 O12 Sr4 Te2 -","2","0.125","","Iwanaga, D.; Inaguma, Y.; Itoh, M.","Crystal structure and magnetic properties of B-site ordered perovskite-type oxides A2 Cu B' O6 (A = Ba, Sr; B'= W, Te)","Journal of Solid State Chemistry","1999","147","","291","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521262","5.5903","","5.5903","","8.6426","","90","","90","","90","","270.094","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Cu (Te O6)","","- Ba2 Cu O6 Te -","- Ba2 Cu O6 Te -","- Ba4 Cu2 O12 Te2 -","2","0.125","","Iwanaga, D.; Itoh, M.; Inaguma, Y.","Crystal structure and magnetic properties of B-site ordered perovskite-type oxides A2 Cu B' O6 (A = Ba, Sr; B'= W, Te)","Journal of Solid State Chemistry","1999","147","","291","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521303","11.9515","","11.9515","","22.8949","","90","","90","","90","","3270.27","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba9 Pr6 O Br34","","- Ba9 Br34 O Pr6 -","- Ba9 Br34 Pr6 -","- Ba18 Br68 Pr12 -","2","0.125","","Masselmann, S.; Meyer, G.","Die Polyeder-Cluster ((M6 Z) Br36) in den bromiden Ba8 ((M6 Z) Br32) und Ba9 ((M6 Z) Br34)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1","2","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521333","10.219","","10.219","","2.963","","90","","90","","90","","309.42","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba1.08 (Fe Ti7 O16)","","- Ba1.08 Fe O16 Ti7 -","- Ba1.08 Fe O16 Ti7 -","- Ba1.08 Fe O16 Ti7 -","1","0.0625","","Mitchell, R.H.; Yakovenchuk, V.N.; Chakhmouradian, A.R.; Burns, P.C.; Pakhomovskii, Ya.A.","Henrymeyerite, a new hollandite-type Ba-Fe titanate from the Kovdorcomplex, Russia","Canadian Mineralogist","2000","38","","617","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521345","12.0671","","12.0671","","7.5535","","90","","90","","90","","1099.9","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Na4 (Al3 Si9 O24) Cl","","- Al3 Cl Na4 O24 Si9 -","- Al3 Cl Na4 O24 Si9 -","- Al6 Cl2 Na8 O48 Si18 -","2","0.125","","Kabalov, Yu.K.; Sokolova, E.V.; Kalygina, N.V.; Schneider, J.","Changes in the crystal structure of marialite during heating","Kristallografiya","1999","44","","1049","1053","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521354","10.57945","","10.57945","","5.67357","","90","","90","","90","","635.013","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Cu2 (Al6 B4 O17)","","- Al6 B4 Cu2 O17 -","- Al6.004 B4 Cu1.996 O17 -","- Al12.008 B8 Cu3.992 O34 -","2","0.125","","Kaduk, J.A.; McKenna, S.T.; Satek, L.C.","Crystal structures of metal aluminium borates","The Rigaku Journal","1999","16","","17","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","141563","2020-10-21","18:00:00",""
"1521666","13.255","","13.255","","14.432","","90","","90","","90","","2535.63","","","","","","","","","","","","","7","I 4/m","-I 4","87","","((C3 H7)4 N)2 (Mn (H2 O)4) (Re6 S8 (C N)6)","","- C30 H64 Mn N8 O4 Re6 S8 -","- C30 Mn N8 O4 Re6 S8 -","- C60 Mn2 N16 O8 Re12 S16 -","2","0.125","","Naumov, N.G.; Artemkina, S.B.; Virovets, A.V.; Fedorov, V.E.","Facile transformation of isolated fragments to infinite chains in rhenium chalcocyanide clusters: synthesis and structure of (Pr4 N)2 M (H2 O)5 (Re6 X8 (C N)6) . (H2 O) and (Pr4 N)2 M (H2 O)4 (Re6 S8 (C N)6) (X = S, Se; M = Mn, Ni)","Journal of Solid State Chemistry","2000","153","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521668","13.247","","13.247","","14.246","","90","","90","","90","","2499.93","","","","","","","","","","","","","7","I 4/m","-I 4","87","","((C3 H7)4 N)2 (Ni (H2 O)4) (Re6 S8 (C N)6)","","- C30 H64 N8 Ni O4 Re6 S8 -","- C30 N8 Ni O4 Re6 S8 -","- C60 N16 Ni2 O8 Re12 S16 -","2","0.125","","Naumov, N.G.; Artemkina, S.B.; Virovets, A.V.; Fedorov, V.E.","Facile transformation of isolated fragments to infinite chains in rhenium chalcocyanide clusters: synthesis and structure of (Pr4 N)2 M (H2 O)5 (Re6 X8 (C N)6) . (H2 O) and (Pr4 N)2 M (H2 O)4 (Re6 S8 (C N)6) (X = S, Se; M = Mn, Ni)","Journal of Solid State Chemistry","2000","153","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521916","12.1476","","12.1476","","7.5636","","90","","90","","90","","1116.12","","","","","","","","","","","","","7","I 4/m","-I 4","87","","(Na1.17 K0.20 Ca2.82) (Si7.1 Al4.9 O24) Cl0.19 (C O3)0.88","","- Al4.9 Ca2.82 Cl0.19 K0.2 Na1.17 O24 Si7.1 -","- Al4.9 Ca2.82 Cl0.19 K0.2 Na1.17 O24 Si7.1 -","- Al9.8 Ca5.64 Cl0.38 K0.4 Na2.34 O48 Si14.2 -","2","0.125","","Sherriff, B.L.; Jaeger, C.; Sokolova, E.V.; Schneider, J.; Jenkins, D.M.; Goetz, S.; Kabalov, Yu.K.; Kunath-Fandrei, G.","Meionite: Rietveld structure-refinement, (29)Si MAS and (27)Al SATRAS NMR spectroscopy, and comments on the marialite-meionite series","Canadian Mineralogist","2000","38","","1201","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","142133","2020-10-21","18:00:00",""
"1521917","12.1637","","12.1637","","7.5739","","90","","90","","90","","1120.6","","","","","","","","","","","","","8","I 4/m","-I 4","87","","(Na0.78 K0.01 Ca2.86) (Si6.8 Al5.2 O24) Cl0.02 (S O4)0.32 (C O3)0.66","","- Al5.2 Ca2.86 Cl0.02 K0.01 Na0.78 O24 S0.32 Si6.8 -","- Al5.2 Ca2.86 Cl0.02 K0.01 Na0.78 O24 S0.32 Si6.8 -","- Al10.4 Ca5.72 Cl0.04 K0.02 Na1.56 O48 S0.64 Si13.6 -","2","0.125","","Sherriff, B.L.; Kabalov, Yu.K.; Sokolova, E.V.; Jenkins, D.M.; Kunath-Fandrei, G.; Goetz, S.; Jaeger, C.; Schneider, J.","Meionite: Rietveld structure-refinement, (29)Si MAS and (27)Al SATRAS NMR spectroscopy, and comments on the marialite-meionite series","Canadian Mineralogist","2000","38","","1201","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","142134","2020-10-21","18:00:00",""
"1521918","12.1969","","12.1969","","7.5763","","90","","90","","90","","1127.08","","","","","","","","","","","","","8","I 4/m","-I 4","87","","(Na0.05 K0.02 Ca3.84) (Si6.1 Al5.9 O24) Cl0.02 (S O4)0.03 (C O3)0.91","","- Al5.9 Ca3.84 Cl0.02 K0.02 Na0.05 O24 S0.03 Si6.1 -","- Al5.9 Ca3.84 Cl0.02 K0.02 Na0.05 O24 S0.03 Si6.1 -","- Al11.8 Ca7.68 Cl0.04 K0.04 Na0.1 O48 S0.06 Si12.2 -","2","0.125","","Sherriff, B.L.; Sokolova, E.V.; Kabalov, Yu.K.; Jenkins, D.M.; Jaeger, C.; Goetz, S.; Kunath-Fandrei, G.; Schneider, J.","Meionite: Rietveld structure-refinement, (29)Si MAS and (27)Al SATRAS NMR spectroscopy, and comments on the marialite-meionite series","Canadian Mineralogist","2000","38","","1201","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","142135","2020-10-21","18:00:00",""
"1521919","12.2119","","12.2119","","7.5811","","90","","90","","90","","1130.57","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ca4 (Al6 Si6 O24) (C O3)","","- Al6 Ca4 O24 Si6 -","- Al6 Ca4 O24 Si6 -","- Al12 Ca8 O48 Si12 -","2","0.125","","Sherriff, B.L.; Sokolova, E.V.; Kabalov, Yu.K.; Schneider, J.; Jenkins, D.M.; Kunath-Fandrei, G.; Goetz, S.; Jaeger, C.","Meionite: Rietveld structure-refinement, (29)Si MAS and (27)Al SATRAS NMR spectroscopy, and comments on the marialite-meionite series","Canadian Mineralogist","2000","38","","1201","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","142136","2020-10-21","18:00:00",""
"1522144","8.684","","8.684","","17.238","","90","","90","","90","","1299.95","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Bi14 Cr O24 -","- Bi14 Cr O24.04 -","- Bi28 Cr2 O48.08 -","2","0.125","","Warda, S.A.; Kesper, U.; Pietzuch, W.; Massa, W.; Reinen, D.","Color and constitution of Cr(VI)-doped Bi2 O3 phases: the structure of Bi14 Cr O24","Journal of Solid State Chemistry","2000","149","","209","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522663","10.297","","10.297","","6.888","","90","","90","","90","","730.322","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Pt11 Zr9 -","- Pt11 Zr9 -","- Pt22 Zr18 -","2","0.125","","Panda, S.C.; Bhan, S.","Alloying behaviour of zirconium with other transition metals","Zeitschrift fuer Metallkunde","1973","64","","793","799","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522884","10.231","","10.231","","3.7194","","90","","90","","90","","389.322","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Nb5 Te4 -","- Nb5 Te4 -","- Nb10 Te8 -","2","0.125","","Selte, K.; Kjekshus, A.","The crystal structures of Nb5 Se4 and Nb5 Te4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1963","17","","2560","2562","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523119","11.94","","11.94","","5.081","","90","","90","","90","","724.366","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Ga4 Sm9 -","- Ga4 Sm9 -","- Ga8 Sm18 -","2","0.125","","Yatsenko, S.P.; Grin', Yu.; Chuntonov, K.A.; Sichevich, O.M.; Yarmolyuk, Ya.P.","Die Struktur von Sm9 Ga4","Journal of the Less-Common Metals","1985","106","","35","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523560","5.73","","5.73","","3.553","","90","","90","","90","","116.655","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Ni4 W -","- Ni4 W -","- Ni8 W2 -","2","0.125","","Epremian, E.; Harker, D.","The crystal structure of Ni4 W","Transactions of the American Institute of Mining, Metallurgical and Petroleum Engineers","1949","185","","267","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523714","9.88","","9.88","","6.61","","90","","90","","90","","645.231","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Ni11 Zr9 -","- Ni11 Zr9 -","- Ni22 Zr18 -","2","0.125","","Glimois, J.L.; Develey, G.; Becle, C.; Moreau, J.M.","Crystal structure of the intermetallic compound Ni11 Zr9","Journal of the Less-Common Metals","1979","64","","87","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523776","5.72","","5.72","","3.564","","90","","90","","90","","116.608","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Mo Ni4 -","- Mo Ni4 -","- Mo2 Ni8 -","2","0.125","","Harker, D.","The crystal structure of Ni4 Mo","Journal of Applied Physics","1944","12","","315","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523953","9.963","","9.963","","2.916","","90","","90","","90","","289.446","","","","","","","","","","","","","3","I 4/m","-I 4","87","","K2 V8 O16","","- K2 O16 V8 -","- K2 O16 V8 -","- K2 O16 V8 -","1","0.0625","","Abriel, W.; Range, K.J.; Rau, F.","New compounds A(2-x) V8 O16 (A = K, Tl) with Hollandite type structure","Materials Research Bulletin","1979","14","","1463","1468","","","","","","","","","","","","","","","","","","","","","","has coordinates","144583","2020-10-21","18:00:00",""
"1523954","10.064","","10.064","","2.899","","90","","90","","90","","293.623","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Tl1.74 V8 O16","","- O16 Tl1.74 V8 -","- O16 Tl1.74 V8 -","- O16 Tl1.74 V8 -","1","0.0625","","Abriel, W.; Rau, F.; Range, K.J.","New compounds A(2-x) V8 O16 (A = K, Tl) with Hollandite type structure","Materials Research Bulletin","1979","14","","1463","1468","","","","","","","","","","","","","","","","","","","","","","has coordinates","144584","2020-10-21","18:00:00",""
"1524419","12.343","","12.343","","15.463","","90","","90","","90","","2355.78","","","","","","","","","","","","Vesuvius volcano, Bay of Naples, Italy","9","I 4/m","-I 4","87","","Na1.76 Ca6 (O H) (H2 O)0.44 (Si O4)0.25 (P O4)0.25 (C O3)0.46 Cl0.04 (Al4 Si6 O23)","Sarcolite","- C0.46 H1.88 Al4 Ca6 Cl0.04 Na1.76 O27.82 P0.25 Si6.25 -","- C0.46 Al4 Ca6 Cl0.04 Na1.76 O27.82 P0.25 Si6.25 -","- C1.84 Al16 Ca24 Cl0.16 Na7.04 O111.28 P Si25 -","4","0.25","","Giuseppetti, G.; Mazzi, F.; Tadini, C.","The crystal structure of sarcolite","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1977","24","","1","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:48",""
"1525351","14.025","","14.025","","5.761","","90","","90","","90","","1133.19","","","","","","","","","","","","","7","I 4/m","-I 4","87","","Na4 (Ni (N H3)4) (Ag (S2 O3)2)2 N H3","","- Ag2 H15 N5 Na4 Ni O12 S8 -","- Ag2 N5 Na4 Ni O12 S8 -","- Ag4 N10 Na8 Ni2 O24 S16 -","2","0.125","","Stomberg, R.; Svensson, I.B.; Tomlinson, A.A.G.","The crystal structure and spectra of Na4 (Ni (N H3)4) (Ag (S2 O3)2)2 N H3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","1192","1202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525866","3.8928","","3.8928","","19.652","","90","","90","","90","","297.804","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Pr Cu1.16 P2","","- Cu1.2 P2.04 Pr1.02 -","- Cu1.2 P2.04 Pr1.02 -","- Cu4.8 P8.16 Pr4.08 -","4","0.25","","Demchyna, R.O.; Davydov, V.N.; Chikhrii, S.I.; Kuz'ma, Yu.B.","New phosphide Pr Cu1.16 P2.00 and its crystal structure","Dopov. Nats. Akad. Nauk. Ukr.","2001","2001","","129","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","146931","2020-10-21","18:00:00",""
"1526020","10.099","","10.099","","2.971","","90","","90","","90","","303.012","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Na1.7 (Cr1.71 Ti6.29) O16","","- Cr1.71 Na1.7 O16 Ti6.29 -","- Cr1.712 Na1.7 O16 Ti6.288 -","- Cr1.712 Na1.7 O16 Ti6.288 -","1","0.0625","","Michiue, Y.; Watanabe, M.; Yoshikado, S.","High-temperature X-ray study for a single crystal of the hollandite-like one-dimensional ionic conductor, Nax Crx Ti8-x O16 (x = 1.7)","Solid State Ionics","2000","136","","939","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","147116","2020-10-21","18:00:00",""
"1526402","5.6328","","5.6328","","7.9877","","90","","90","","90","","253.437","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Ba La Ru Cu O6","","- Ba Cu La O6 Ru -","- Ba Cu La O6 Ru -","- Ba2 Cu2 La2 O12 Ru2 -","2","0.125","","Rozier, P.; Jansson, K.; Nygren, M.","Investigation of structural and catalytic properties of Ba La4 Cu5-y Ruy O13-d with 0.0 < y <3.0 and of La Ba Cu Ru O6","Materials Research Bulletin","2000","35","","1391","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526460","5.5571","","5.5571","","7.9131","","90","","90","","90","","244.367","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Ni (W O6)","","- Ni O6 Sr2 W -","- Ni O6 Sr2 W -","- Ni2 O12 Sr4 W2 -","2","0.125","","Iwanaga, D.; Inaguma, Y.; Itoh, M.","Structure and magnetic properties of Sr2 Ni A O6","Materials Research Bulletin","2000","35","","449","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526948","13.96062","","13.96062","","5.78483","","90","","90","","90","","1127.46","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Eu8 Zn4 O21","","- Ba5 Eu8 O21 Zn4 -","- Ba5 Eu8 O21 Zn4 -","- Ba10 Eu16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Dillingham, J.; Kaduk, J.A.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148234","2020-10-21","18:00:00",""
"1526949","13.91895","","13.91895","","5.76822","","90","","90","","90","","1117.52","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Gd8 Zn4 O21","","- Ba5 Gd8 O21 Zn4 -","- Ba5 Gd8 O21 Zn4 -","- Ba10 Gd16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148235","2020-10-21","18:00:00",""
"1526950","13.80473","","13.80473","","5.72491","","90","","90","","90","","1091","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Dy8 Zn4 O21","","- Ba5 Dy8 O21 Zn4 -","- Ba5 Dy8 O21 Zn4 -","- Ba10 Dy16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148236","2020-10-21","18:00:00",""
"1526951","13.76577","","13.76577","","5.70754","","90","","90","","90","","1081.56","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Ho8 Zn4 O21","","- Ba5 Ho8 O21 Zn4 -","- Ba5 Ho8 O21 Zn4 -","- Ba10 Ho16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148237","2020-10-21","18:00:00",""
"1526952","13.71838","","13.71838","","5.69019","","90","","90","","90","","1070.86","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Er8 Zn4 O21","","- Ba5 Er8 O21 Zn4 -","- Ba5 Er8 O21 Zn4 -","- Ba10 Er16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148238","2020-10-21","18:00:00",""
"1526953","13.67323","","13.67323","","5.67492","","90","","90","","90","","1060.97","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Tm8 Zn4 O21","","- Ba5 O21 Tm8 Zn4 -","- Ba5 O21 Tm8 Zn4 -","- Ba10 O42 Tm16 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148239","2020-10-21","18:00:00",""
"1526954","13.63502","","13.63502","","5.65846","","90","","90","","90","","1051.99","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Yb8 Zn4 O21","","- Ba5 O21 Yb8 Zn4 -","- Ba5 O21 Yb8 Zn4 -","- Ba10 O42 Yb16 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148240","2020-10-21","18:00:00",""
"1527096","11.63","","11.63","","5.41","","90","","90","","90","","731.74","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Na Gd (Si O4)","","- Gd Na O4 Si -","- Gd Na O4 Si -","- Gd8 Na8 O32 Si8 -","8","0.5","","Avetisyan, E.I.; Chichagov, A.V.; Belov, N.V.","Crystal structure of sodium gadolinium orthosilicate","Kristallografiya","1970","15","","1066","1067","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527525","11.408","","11.408","","10.256","","90","","90","","90","","1334.74","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ba6 Fe8 S15 -","- Ba6 Fe8 S15 -","- Ba12 Fe16 S30 -","2","0.125","","Hong, H.Y.-P.; Steinfink, H.","The Crystal Chemistry of Phases in the Ba-Fe-S and Se Systems","Journal of Solid State Chemistry","1972","5","","93","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527917","12.169","","12.169","","7.569","","90","","90","","90","","1120.85","","","","","","","","","","","","","7","I 4/m","-I 4","87","","(Ca0.67 Na0.18 K0.11)8 ((Si0.557 Al0.443)24 O48) Cl2","","- Al10.632 Ca5.36 Cl2 K0.88 Na1.44 O48 Si13.368 -","- Al10.64 Ca5.36 Cl2 K0.88 Na1.44 O48 Si13.36 -","- Al10.64 Ca5.36 Cl2 K0.88 Na1.44 O48 Si13.36 -","1","0.0625","","Papike, J.J.; Stephenson, N.C.","The crystal structure of mizzonite, a calcium- and carbonate-rich scapolite","American Mineralogist","1966","51","","1014","1026","","","","","","","","","","","","","","","","","","","","","","has coordinates","149719","2020-10-21","18:00:00",""
"1528205","9.885","","9.885","","3.127","","90","","90","","90","","305.549","","","","","","","","","","","","","3","I 4/m","-I 4","87","","K (Ru4 O8)","","- K O8 Ru4 -","- K O8 Ru4 -","- K2 O16 Ru8 -","2","0.125","","Wilhelm, M.; Hoppe, R.","Eine neue Rutheniumbronze: K Ru4 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","438","","90","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528327","5.5529","","5.5529","","7.8993","","90","","90","","90","","243.573","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Fe Mo O6","","- Fe Mo O6 Sr2 -","- Fe Mo O6 Sr2 -","- Fe2 Mo2 O12 Sr4 -","2","0.125","","Azad, A.K.; Eriksson, S.G.; Tseggai, M.; Eriksson, A.; Khan, A.","Electron doping effect on structural and magnetic phase transitions in Sr(2-x) Nd(x) Fe Mo O6","Journal of Solid State Chemistry","2006","179","","1303","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528328","5.5557","","5.5557","","7.8877","","90","","90","","90","","243.46","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr1.9 Nd0.1 Fe Mo O6","","- Fe Mo Nd0.1 O6 Sr1.9 -","- Fe Mo Nd0.1 O6 Sr1.9 -","- Fe2 Mo2 Nd0.2 O12 Sr3.8 -","2","0.125","","Azad, A.K.; Khan, A.; Eriksson, S.G.; Eriksson, A.; Tseggai, M.","Electron doping effect on structural and magnetic phase transitions in Sr(2-x) Nd(x) Fe Mo O6","Journal of Solid State Chemistry","2006","179","","1303","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528409","5.5313","","5.5313","","8.0832","","90","","90","","90","","247.308","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Mn Sb O6","","- Mn O6 Sb Sr2 -","- Mn O6 Sb Sr2 -","- Mn2 O12 Sb2 Sr4 -","2","0.125","","Cheah, M.; Saines, P.J.; Kennedy, B.J.","The Jahn-Teller distortion and cation ordering in the perovskite Sr2 Mn Sb O6","Journal of Solid State Chemistry","2006","179","","1775","1781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528500","5.99856","","5.99856","","8.52","","90","","90","","90","","306.573","","","","","","","","","","","","","4","I 4/m","-I 4","87","","","","- Ba2 Gd Nb O6 -","- Ba2 Gd Nb O6 -","- Ba4 Gd2 Nb2 O12 -","2","0.125","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528501","5.98428","","5.98428","","8.48173","","90","","90","","90","","303.744","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Tb Nb O6","","- Ba2 Nb O6 Tb -","- Ba2 Nb O6 Tb -","- Ba4 Nb2 O12 Tb2 -","2","0.125","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528598","24.1514","","24.1514","","21.8711","","90","","90","","90","","12757.2","","","","","","","","","","","","","8","I 4/m","-I 4","87","","(N H2 (C H3)2)16 (Mo3 S4 (H2 O)5)4 (Si W10 O36)4 (H2 O)28","","- C32 H224 Mo12 N16 O192 S16 Si4 W40 -","- C32 Mo12 N16 O192 S16 Si4 W40 -","- C64 Mo24 N32 O384 S32 Si8 W80 -","2","0.125","","Izarova, N.V.; Sokolov, M.N.; Marrot, J.; Cadot, E.; Fedin, V.P.; Secheresse, F.","Synthesis and structure of supermolecular polyoxothiometalate nanocluster containing 52 metal atoms [{Mo3 S4 (H2 O)5}4 (gamma-Si W10 O36)4](16-)","Izvestiya Akad. Nauk, Seriya Khimicheskaya","2004","53","","1445","1448","","","","","","","","","","","","","","","","","","","","","","has coordinates","151057","2020-10-21","18:00:00",""
"1528686","10.0503","","10.0503","","2.94494","","90","","90","","90","","297.464","","","","","","","","","","","","","6","I 4/m","-I 4","87","","Ba1.2 Cs0.28 Fe0.82 Al1.46 Ti5.72 O16","","- Al1.46 Ba1.2 Cs0.28 Fe0.82 O16 Ti5.72 -","- Al1.456 Ba1.2 Cs0.28 Fe0.816 O16 Ti5.712 -","- Al1.456 Ba1.2 Cs0.28 Fe0.816 O16 Ti5.712 -","1","0.0625","","Leinekugel-le-Cocq-Errien, A.Y.; Deniard, P.; Jobic, S.; Gautier, E.; Aubin, V.; Evain, M.; Bart, F.","Structural characterization of the hollandite host lattice for the confinement of radioactive cesium: Quantification of the amorphous phase taking into account the incommensurate modulated character of the crystallized part","Journal of Solid State Chemistry","2007","180","","322","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","151247","2020-10-21","18:00:00",""
"1528947","11.7306","","11.7306","","13.0372","","90","","90","","90","","1794.01","","","","","","","","","","","","","6","I 4/m","-I 4","87","","((Co (H2 O)2)2 Mo (C N)8) (H2 O)4","","- C8 H16 Co2 Mo N8 O8 -","- C8 Co2 Mo N8 O8 -","- C32 Co8 Mo4 N32 O32 -","4","0.25","","Tuna, F.; Golhen, S.; Ouahab, L.; Sutter, J.P.","Crystal structure and magnetic properties of [{Co (H2 O)2}2 Mo (C N)8].4 H2 O, a three-dimensional cyanide-bridged bimetallic compound","Comptes Rendus Chimie","2003","6","","377","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529016","5.93","","5.93","","8.397","","90","","90","","90","","295.28","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Ca W O6","","- Ba2 Ca O6 W -","- Ba2 Ca O6 W -","- Ba4 Ca2 O12 W2 -","2","0.125","","Yamamura, Y.; Wakeshima, M.; Hinatsu, Y.","Structural phase transition and magnetic properties of double perovskites Ba2 Ca M O6 (M = W, Re, Os)","Journal of Solid State Chemistry","2006","179","","605","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529018","5.8961","","5.8961","","8.375","","90","","90","","90","","291.148","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Ca Re O6","","- Ba2 Ca O6 Re -","- Ba2 Ca O6 Re -","- Ba4 Ca2 O12 Re2 -","2","0.125","","Yamamura, Y.; Wakeshima, M.; Hinatsu, Y.","Structural phase transition and magnetic properties of double perovskites Ba2 Ca M O6 (M = W, Re, Os)","Journal of Solid State Chemistry","2006","179","","605","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529161","5.5606","","5.5606","","7.901","","90","","90","","90","","244.301","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr2 (Fe0.45 Ti0.19 Mo0.34) ((Mo0.64 Fe0.29 Ti0.06) O6)","","- Fe0.74 Mo0.98 O6 Sr2 Ti0.25 -","- Fe0.74 Mo0.98 O6 Sr2 Ti0.25 -","- Fe1.48 Mo1.96 O12 Sr4 Ti0.5 -","2","0.125","","Ritter, C.; Blasco, J.; Ibarra, M.R.; de Teresa, J.M.; Morellon, L.; Garcia, J.; Serrate, D.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","152224","2020-10-21","18:00:00",""
"1529163","5.5541","","5.5541","","7.8743","","90","","90","","90","","242.907","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr2 (Fe0.56 V0.14 Mo0.30) ((Mo0.70 Fe0.19 V0.11) O6)","","- Fe0.75 Mo O6 Sr2 V0.25 -","- Fe0.75 Mo O6 Sr2 V0.25 -","- Fe1.5 Mo2 O12 Sr4 V0.5 -","2","0.125","","Ritter, C.; Ibarra, M.R.; de Teresa, J.M.; Blasco, J.; Morellon, L.; Garcia, J.; Serrate, D.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529165","5.5552","","5.5552","","7.8767","","90","","90","","90","","243.077","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr2 (Fe0.69 Cr0.09 Mo0.22) ((Mo0.78 Fe0.06 Cr0.16) O5.9)","","- Cr0.25 Fe0.75 Mo O5.9 Sr2 -","- Cr0.25 Fe0.75 Mo O5.898 Sr2 -","- Cr0.5 Fe1.5 Mo2 O11.796 Sr4 -","2","0.125","","Ritter, C.; Serrate, D.; Blasco, J.; de Teresa, J.M.; Garcia, J.; Morellon, L.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529167","5.5679","","5.5679","","7.9218","","90","","90","","90","","245.588","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 (Fe0.94 Mo0.05) ((Mo0.94 Fe0.05) O6)","","- Fe0.99 Mo0.99 O6 Sr2 -","- Fe0.99 Mo0.99 O6 Sr2 -","- Fe1.98 Mo1.98 O12 Sr4 -","2","0.125","","Ritter, C.; Blasco, J.; de Teresa, J.M.; Ibarra, M.R.; Serrate, D.; Garcia, J.; Morellon, L.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","152230","2020-10-21","18:00:00",""
"1529169","5.5538","","5.5538","","7.9076","","90","","90","","90","","243.908","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr1.91 (Fe0.75 Co0.18 Mo0.07) ((Mo0.93 Co0.07) O5.68)","","- Co0.25 Fe0.75 Mo O5.68 Sr1.91 -","- Co0.25 Fe0.75 Mo O5.682 Sr1.91 -","- Co0.5 Fe1.5 Mo2 O11.364 Sr3.82 -","2","0.125","","Ritter, C.; Serrate, D.; Blasco, J.; Morellon, L.; de Teresa, J.M.; Garcia, J.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529483","6.42098","0.00009","6.42098","0.00009","9.1006","0.0003","90","","90","","90","","375.208","0.014","","","270","","","","","","","","","4","I 4/m","-I 4","87","","","","- F6 In K Rb2 -","- F6 In K Rb2 -","- F12 In2 K2 Rb4 -","2","0.125","","K.S. Aleksandrov; S.V. Misyul; M.S. Molokeev; V.N. Voronov","Structures of distorted phases and critical and noncritical atomic displacements of elpasolite Rb2KInF6 during phase transitions","Physics of the Solid State","2009","51","12","2505","2512","10.1134/S1063783409120130","","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529904","6.518","","6.518","","4.47","","90","","90","","90","","189.905","","","","","","","","","","","","","2","I 4/m","-I 4","87","","U F5","","- F5 U -","- F5 U -","- F10 U2 -","2","0.125","","Eller, P.G.; Ensor, D.D.; Larson, A.C.; Peterson, J.R.; Young, J.P.","Crystal structures of alpha-U F5 and U2 F9 and spectral characterization of U2 F9","Inorganica Chimica Acta","1979","37","","129","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530099","8.1927","","8.1927","","3.342","","90","","90","","90","","224.316","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K Li Zn3 O4","","- K Li O4 Zn3 -","- K Li O4 Zn3 -","- K2 Li2 O8 Zn6 -","2","0.125","","Hoppe, R.; Seipp, E.; Baier, R.","New metal oxides of the family Am((T O)q): A Li Mn3 O4 and A Li Zn3 O4 (A = K, Rb)","Journal of Solid State Chemistry","1988","72","","52","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530100","8.4066","","8.4066","","3.4485","","90","","90","","90","","243.709","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Rb Li Mn3 O4","","- Li0.92 Mn3.08 O4 Rb -","- Li0.92 Mn3.08 O4 Rb -","- Li1.84 Mn6.16 O8 Rb2 -","2","0.125","","Hoppe, R.; Seipp, E.; Baier, R.","New metal oxides of the family Am((T O)q): A Li Mn3 O4 and A Li Zn3 O4 (A = K, Rb)","Journal of Solid State Chemistry","1988","72","","52","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530248","10.182","","10.182","","2.966","","90","","90","","90","","307.494","","","","","","","","","","","","","3","I 4/m","-I 4","87","","K0.06 Ti O2","","- K0.06 O2 Ti -","- K0.06075 O2 Ti -","- K0.486 O16 Ti8 -","8","0.5","","Latroche, M.; Brohan, L.; Tournoux, M.; Marchand, R.","New Hollandite Oxides: Ti O2 (H) and K.06 Ti O2","Journal of Solid State Chemistry","1989","81","","78","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530670","9.9818","","9.9818","","2.933","","90","","90","","90","","292.233","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba1.17 Ti5.84 Al2.10 O16","","- Al2.1 Ba1.17 O16 Ti5.84 -","- Al2.08 Ba1.16 O16 Ti5.84 -","- Al2.08 Ba1.16 O16 Ti5.84 -","1","0.0625","","Sabine, T.M.; Hewat, A.W.","The structure of the Hollandite type phase of synroc B in the temperature range 20-1060 C","Journal of Nuclear Materials","1981","110","","13","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","155809","2020-10-21","18:00:00",""
"1530709","22.8951","","22.8951","","3.9202","","90","","90","","90","","2054.91","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Pb12 Ta9 O20 F29","","- F29 O20 Pb12 Ta9 -","- F29 O20 Pb12 Ta9 -","- F58 O40 Pb24 Ta18 -","2","0.125","","Savborg, O.","Structures of Niobium and Tantalum Oxide Fluorides Containing Lone-Pair Ions IV.Pb12 Ta9 O20 F29: A ""Block"" Structure Related to the Aurivillius Phases","Journal of Solid State Chemistry","1985","57","","154","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","155906","2020-10-21","18:00:00",""
"1530961","10.18","","10.18","","2.9661","","90","","90","","90","","307.384","","","","","","","","","","","","","3","I 4/m","-I 4","87","","K1.28 Ti8 O16","","- K1.28 O16 Ti8 -","- K1.28 O16 Ti8 -","- K1.28 O16 Ti8 -","1","0.0625","","Vogt, T.; Wuestefeld, C.; Schweda, E.; Straehle, J.; Cheetham, A.K.","Structural Analysis of a Potassium Hollandite K1.35 Ti8 O16","Journal of Solid State Chemistry","1989","83","","61","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","156199","2020-10-21","18:00:00",""
"1530974","10.062","","10.062","","2.9369","","90","","90","","90","","297.343","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K1.5 (Al1.5 Ti6.5) O16","","- Al1.5 K1.5 O16 Ti6.5 -","- Al1.52 K1.5 O16 Ti6.48 -","- Al1.52 K1.5 O16 Ti6.48 -","1","0.0625","","Watanabe, M.; Fujiki, Y.; Kanazawa, Y.; Tsukimura, K.","The effects of cation substitution on the Hollandite-type structure","Journal of Solid State Chemistry","1987","66","","56","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","156217","2020-10-21","18:00:00",""
"1530975","10.11","","10.11","","2.9375","","90","","90","","90","","300.248","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Rb1.47 (Al1.47 Ti6.53) O16","","- Al1.47 O16 Rb1.47 Ti6.53 -","- Al1.44 O16 Rb1.48 Ti6.56 -","- Al1.44 O16 Rb1.48 Ti6.56 -","1","0.0625","","Watanabe, M.; Tsukimura, K.; Fujiki, Y.; Kanazawa, Y.","The effects of cation substitution on the Hollandite-type structure","Journal of Solid State Chemistry","1987","66","","56","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","156218","2020-10-21","18:00:00",""
"1530976","18.142","","18.142","","2.9967","","90","","90","","90","","986.31","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Rb1.26 Ga17.28 Ti14.72 O56","","- Ga17.28 O56 Rb1.26 Ti14.72 -","- Ga17.28 O56 Rb1.26 Ti14.72 -","- Ga17.28 O56 Rb1.26 Ti14.72 -","1","0.0625","","Watanabe, M.; Ohachi, T.; Fujiki, Y.; Yoshikado, S.","Structural Aspects of the New One-Dimensional Ionic Conductors: Ax Ga8 Ga8+x Ti16-x O56 (A=K,Rb and Cs, x<=2)","Solid State Ionics","1988","28","","257","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","156219","2020-10-21","18:00:00",""
"1530988","10.138","","10.138","","2.9685","","90","","90","","90","","305.1","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K1.59 (Mg.77 Ti7.23) O16","","- K1.59 Mg0.77 O16 Ti7.23 -","- K1.59 Mg0.776 O16 Ti7.224 -","- K1.59 Mg0.776 O16 Ti7.224 -","1","0.0625","","Weber, H.P.; Schultz, H.","Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K","Journal of Chemical Physics","1986","85","","475","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","156235","2020-10-21","18:00:00",""
"1530989","10.167","","10.167","","2.976","","90","","90","","90","","307.623","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K1.58 (Mg.77 Ti7.23) O16","","- K1.58 Mg0.77 O16 Ti7.23 -","- K1.58 Mg0.776 O16 Ti7.224 -","- K1.58 Mg0.776 O16 Ti7.224 -","1","0.0625","","Weber, H.P.; Schultz, H.","Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K","Journal of Chemical Physics","1986","85","","475","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","156236","2020-10-21","18:00:00",""
"1530990","10.197","","10.197","","2.992","","90","","90","","90","","311.105","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K1.60 (Mg.77 Ti7.23) O16","","- K1.6 Mg0.77 O16 Ti7.23 -","- K1.6 Mg0.776 O16 Ti7.224 -","- K1.6 Mg0.776 O16 Ti7.224 -","1","0.0625","","Weber, H.P.; Schultz, H.","Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K","Journal of Chemical Physics","1986","85","","475","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","156237","2020-10-21","18:00:00",""
"1531006","9.3244","","9.3244","","2.7227","","90","","90","","90","","236.724","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K Al Si3 O8","","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al2 K2 O16 Si6 -","2","0.125","","Yamada, H.; Matsui, Y.; Ito, E.","Crystal-chemical characterization of K Al Si3 O8 with the hollandite structure","Mineralogical Journal (Japan)","1984","12","","29","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531103","5.7448","","5.7448","","8.111","","90","","90","","90","","267.685","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 (Fe W O6)","","- Ba2 Fe O6 W -","- Ba2 Fe O6 W -","- Ba4 Fe2 O12 W2 -","2","0.125","","Azad, A.K.; Eriksen, J.; Mellergard, A.; Eriksson, S.G.; Ivanov, S.A.; Rundlof, H.","A study on the nuclear and magnetic structure of the double perovskites A2 Fe W O6 (A = Sr, Ba) by neutron powder diffraction and reverse Monte Carlo modelling","Materials Research Bulletin","2002","37","","1797","1813","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531491","8.202","","8.202","","9.0245","","90","","90","","90","","607.103","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Cs (D S)","","- Cs D S -","- Cs D S -","- Cs8 D8 S8 -","8","0.5","","Haarmann, F.; Jacobs, H.; White, M.A.; Kockelmann, W.; Marriott, R.A.; Mueller, P.; Kennedy, C.A.; Senker, J.; Qiu, L.","Dynamics of anions and cations in cesium hydrogensulfide (Cs H S, Cs D S): neutron and X-ray diffraction, calorimetry and proton NMR investigations","Journal of Chemical Physics","2002","117","","4961","4972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532230","13.8611","","13.8611","","6.4468","","90","","90","","90","","1238.62","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- K5 Te3 -","- K5 Te3 -","- K20 Te12 -","4","0.25","","Seifert-Lorenz, K.; Hafner, J.","Crystalline intermetallic compounds in the K-Te system: the Zintl-Klemm principle revisited","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","094105-1","094105-15","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532314","16.308","","16.308","","15.418","","90","","90","","90","","4100.43","","","","","","","","","","","","","6","I 4/m","-I 4","87","","Na16 (Fe (C N)5 C O)4 (Fe (C N)6) (H2 O)32","","- C30 H64 Fe5 N26 Na16 O36 -","- C30 Fe5 N26 Na16 O36 -","- C60 Fe10 N52 Na32 O72 -","2","0.125","","Soria, D. B.; Piro, O. E.; Varetti, E. L.; Aymonino, P. J.","X-ray diffraction and DFT structures of the pentacyanocarbonylferrate(3-) ion","Journal of Chemical Crystallography","2001","31","11-12","471","477","10.1023/A:1015659014622","","","","","","","","","","","","","","","","","","","","","has coordinates","174914","2020-10-21","18:00:00",""
"1532525","10.226","","10.226","","2.974","","90","","90","","90","","310.994","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K1.15 (Nb0.67 Ti7.33 O16)","","- K1.15 Nb0.67 O16 Ti7.33 -","- K1.152 Nb0.672 O16 Ti7.328 -","- K1.152 Nb0.672 O16 Ti7.328 -","1","0.0625","","Kumada, N.; Takei, T.; Hirose, K.; Kinomura, N.","Synthesis and crystal structure of hollandite-type K~x~Nb~y~Ti~8-y~O~16~ ( x ≤ 1.15, 0 ≤ y ≤ 1)","Journal of the Ceramic Society of Japan","2003","111","1293","352","356","10.2109/jcersj.111.352","","","","","","","","","","","","","","","","","","","","","has coordinates","175221","2020-10-21","18:00:00",""
"1532626","8.7296","","8.7296","","17.3613","","90","","90","","90","","1323.03","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Bi14 W O24","","- Bi14 O24 W -","- Bi14 O24 W -","- Bi28 O48 W2 -","2","0.125","","Crumpton, T.E.; Francesconi, M.G.; Greaves, C.","The structural chemistry of Bi14 M O24 (M= Cr, Mo, W) phases: bismuth oxides containing discrete M O4 tetrahedra","Journal of Solid State Chemistry","2003","175","","197","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532627","8.7232","","8.7232","","17.3446","","90","","90","","90","","1319.82","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Bi14 Mo O24 -","- Bi14 Mo O24 -","- Bi28 Mo2 O48 -","2","0.125","","Crumpton, T.E.; Francesconi, M.G.; Greaves, C.","The structural chemistry of Bi14 M O24 (M = Cr, Mo, W) phases: bismuth oxides containing discrete M O4 tetrahedra","Journal of Solid State Chemistry","2003","175","","197","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532628","8.6402","","8.6402","","17.1599","","90","","90","","90","","1281.04","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Bi14 Cr O24 -","- Bi14 Cr O24 -","- Bi28 Cr2 O48 -","2","0.125","","Crumpton, T.E.; Francesconi, M.G.; Greaves, C.","The structural chemistry of Bi14 M O24 (M = Cr, Mo, W) phases: bismuth oxides containing discrete M O4 tetrahedra","Journal of Solid State Chemistry","2003","175","","197","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532660","9.271","","9.271","","14.349","","90","","90","","90","","1233.32","","","","","","","","","","","","","6","I 4/m","-I 4","87","","(Ge10 O20 F) (N (C H3)2 (C2 H5)2)","","- C6 H16 F Ge10 N O20 -","- C7.26 F Ge10 N O20 -","- C14.52 F2 Ge20 N2 O40 -","2","0.125","","Wang Yingxia; Song Jiaqing; Gies, H.","The substitution of germanium for silicon in AST-type zeolite","Solid State Sciences","2003","5","","1421","1433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533170","10.085","","10.085","","3.1218","","90","","90","","90","","317.51","","","","","","","","","","","","","4","I 4/m","-I 4","87","","(Cs0.79 Li0.21) (Ru4 O8)","","- Cs0.79 Li0.21 O8 Ru4 -","- Cs0.79 Li0.21 O8 Ru4 -","- Cs1.58 Li0.42 O16 Ru8 -","2","0.125","","Foo, M.L.; Siegrist, T.; Lee Weili; Lawes, G.; Ramirez, A.P.; Cava, R.J.; Ong, N.P.","Electronic characterization of alkali ruthenium hollandites: K Ru4 O8, Rb Ru4 O8 and Cs0.8 Li0.2 Ru4 O8","Materials Research Bulletin","2004","39","","1663","1670","","","","","","","","","","","","","","","","","","","","","","has coordinates","159281","2020-10-21","18:00:00",""
"1533206","5.4169","","5.4169","","8.3976","","90","","90","","90","","246.409","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 (Cu W O6)","","- Cu O6 Sr2 W -","- Cu O6 Sr2 W -","- Cu2 O12 Sr4 W2 -","2","0.125","","Gateshki, M.; Igartua, J.M.","Second-order structural phase transition in Sr2 Cu W O6 double-perovskite oxide","Journal of Physics: Condensed Matter","2003","15","","6749","6757","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533884","9.777","","9.777","","2.8548","","90","","90","","90","","272.89","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Mn O2 ((D0.34 H0.66)2 O)0.1","","- D0.068 H0.132 Mn O2.1 -","- Mn O2.1 -","- Mn8 O16.8 -","8","0.5","","Kijima, N.; Ikeda, T.; Oikawa, K.; Izumi, F.; Yoshimura, Y.","Crystal structure of an open-tunnel oxide alpha-(Mn O2) analyzed by Rietveld refinements and MEM-based pattern fitting","Journal of Solid State Chemistry","2004","177","","1258","1267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533885","9.81359","","9.81359","","2.85077","","90","","90","","90","","274.548","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Mn O2 (H2 O)0.154","","- H0.308 Mn O2.154 -","- Mn O2.15375 -","- Mn8 O17.23 -","8","0.5","","Kijima, N.; Ikeda, T.; Oikawa, K.; Izumi, F.; Yoshimura, Y.","Crystal structure of an open-tunnel oxide alpha-(Mn O2) analyzed by Rietveld refinements and MEM-based pattern fitting","Journal of Solid State Chemistry","2004","177","","1258","1267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534355","6.828","","6.828","","9.27","","90","","90","","90","","432.182","","","","","","","","","","","","","3","I 4/m","-I 4","87","","(N F4)2 Ni F6","","- F14 N2 Ni -","- F14 N2 Ni -","- F28 N4 Ni2 -","2","0.125","","Charpin, P.; Lance, M.; Tue, B.H; Bougon, R.","Crystallographic data on bis-tetrafluoroammonium hexafluoronickelate(IV), (N F4)2 Ni F6","Journal of Fluorine Chemistry","1981","17","","479","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534489","10.147","","10.147","","2.962","","90","","90","","90","","304.972","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K1.46 Ti7.2 Fe0.8 O16","","- Fe0.8 K1.46 O16 Ti7.2 -","- Fe0.8 K1.46 O16 Ti7.2 -","- Fe0.8 K1.46 O16 Ti7.2 -","1","0.0625","","Genkina, E.A.; Dem'yanets, L.N.; Maksimov, B.A.; Lazarevskaya, O.A.","Synthesis and structure of a new compound from hollandite series","Kristallografiya","1993","38","","66","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","161273","2020-10-21","18:00:00",""
"1534577","15.736","","15.736","","3.827","","90","","90","","90","","947.648","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ge Nb19.144 O50 -","- Ge Nb19.144 O50 -","- Ge Nb19.144 O50 -","1","0.0625","","Anderson, J.S.; Bevan, D.J.M.; Hutchinson, J.L.; Cheetham, A.K.; von Dreele, R.B.; Straehle, J.","The structure of germanium niobium oxide, an inherently non-stoichiometric block structure","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1975","346","","139","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534934","26.753","","26.753","","21.241","","90","","90","","90","","15202.7","","","","","","","","","","","","","8","I 4/m","-I 4","87","","K12 Li13 (Cu20 Cl (O H)24 (H2 O)12 (P8 W48 O184)) (H2 O)22","","- Cl Cu20 H92 K12 Li13 O242 P8 W48 -","- Cl Cu20 K12 O242 P8 W48 -","- Cl2 Cu40 K24 O484 P16 W96 -","2","0.125","","Mal, S.S.; Kortz, U.","The wheel-shaped Cu20 tungstophosphate [Cu20 Cl (O H)24 (H2 O)12 (P8 W48 O184)](25-) ion","Angew. Chem. Int. ed.","2005","44","","3777","3780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535072","12.208","","12.208","","7.585","","90","","90","","90","","1130.43","","","","","","","","","","","","","5","I 4/m","-I 4","87","","(Na0.48 Ca3.52) (Al5.52 Si6.48 O24) (C O3)","","- Al5.52 Ca3.52 Na0.48 O24 Si6.48 -","- Al5.52 Ca3.52 Na0.48 O24 Si6.48 -","- Al11.04 Ca7.04 Na0.96 O48 Si12.96 -","2","0.125","","Belokoneva, E.L.; Sokolova, N.V.; Urusov, V.S.","Skapolites: Crystal structures of marialite (Ma11) and meyonite(Me88), space group as a function of composition","Kristallografiya","1993","38","","52","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","162256","2020-10-21","18:00:00",""
"1535075","12.06","","12.06","","7.576","","90","","90","","90","","1101.88","","","","","","","","","","","","","7","I 4/m","-I 4","87","","(Na3.56 Ca0.44) (Al3.29 Si8.71 O24) Cl (C O3)0.05","","- C0.05 Al3.29 Ca0.44 Cl Na3.56 O24.15 Si8.71 -","- Al3.2904 Ca0.44 Cl Na3.56 O24 Si8.7104 -","- Al6.5808 Ca0.88 Cl2 Na7.12 O48 Si17.4208 -","2","0.125","","Belokoneva, E.L.; Sokolova, N.V.; Urusov, V.S.","Skapolites: Crystal structures of marialite (Ma11) and meyonite(Me88), space group as a function of composition .","Kristallografiya","1993","38","","52","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535092","9.8585","","9.8585","","14.0334","","90","","90","","90","","1363.91","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Cs8 (Ta6 O19)","","- Cs8 O19 Ta6 -","- Cs8 O19 Ta6 -","- Cs16 O38 Ta12 -","2","0.125","","Hartl, H.; Pickhard, F.; Emmerling, F.; Roehr, C.","Rubidium- und Caesium-Verbindungen mit dem Isopolyanion (Ta6 O19)(8-) - Synthesen, Kristallstrukturen, thermische und schwingungsspektroskopische Untersuchungen der Oxotantalate A8 (Ta6 O19) . n(H2 O) (A = Rb, Cs; n=0,4,14)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2630","2638","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1535376","8.932","","8.932","","10.984","","90","","90","","90","","876.31","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Na2 (Ni (N H2)4) (N H3)2","","- H14 N6 Na2 Ni -","- H14 N6 Na2 Ni -","- H56 N24 Na8 Ni4 -","4","0.25","","Tenten, A.; Jacobs, H.","Partielle Substitution von Nickel durch Natrium in Nickel(II)-amid: Isolierte Na4Ni2(NH2)8*4NH3-Einheiten in Natriumtetraamidoniccolat(II)-diammoniakat","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","604","","113","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1535671","5.204","","5.204","","15.926","","90","","90","","90","","431.302","","","","","","","","","","","","","3","I 4/m","-I 4","87","","K4 O (N O2)2","","- K4 N2 O5 -","- K4 N2 O5 -","- K8 N4 O10 -","2","0.125","","Mueller, W.; Jansen, M.","A4N2O5 (A = Na, K), neue Oxidnitrite der Alkalimetalle und eine Bemerkung zum quasi-binaeren System K3NO3/K3OBr","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","610","","28","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","163111","2020-10-21","18:00:00",""
"1535693","18.1554","","18.1554","","26.6926","","90","","90","","90","","8798.38","","","","","","","","","","","","","4","I 4/m","-I 4","87","","","","- H200 Li28 Np49.1 O374 -","- Li28 Np49.058 O374 -","- Li28 Np49.058 O374 -","1","0.0625","","Burns, P.C.; Soderholm, L.; Sigmon, G.; Fryer, B.J.; Gagnon, J.E.; Antonio, M.R.; Kubatko, K.A.","Actinyl Peroxide Nanospheres","Angew. Chem. Int. ed.","2005","44","","2135","2139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535962","11.187","","11.187","","9.526","","90","","90","","90","","1192.17","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Eu2 Cl2 (Si O3)","","- Cl2 Eu2 O3 Si -","- Cl2 Eu2 O3 Si -","- Cl16 Eu16 O24 Si8 -","8","0.5","","Jacobsen, H.; Meyer, G.; Blasse, G.; Schipper, W.","Synthesis, structures and luminescence of two new europium(II) silicate-chlorides, Eu2SiO3Cl2 and Eu5SiO4Cl6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","451","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535992","10.181","","10.181","","2.975","","90","","90","","90","","308.367","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Tl0.205 (Mg0.1025 Ti0.8975) O2","","- Mg0.1025 O2 Ti0.8975 Tl0.205 -","- Mg0.1025 O2 Ti0.8975 Tl0.205 -","- Mg0.82 O16 Ti7.18 Tl1.64 -","8","0.5","","Verbaere, A.; Dion, M.; Tournoux, M.","Structures et problemes d'ordre dans des phases Tlx (My Ti1-y) O2","Revue de Chimie Minerale","1975","12","","156","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","163539","2020-10-21","18:00:00",""
"1536211","10.4457","","10.4457","","3.7868","","90","","90","","90","","413.188","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Nb5 Pd4 As4","","- As4 Nb5 Pd4 -","- As4 Nb5 Pd4 -","- As8 Nb10 Pd8 -","2","0.125","","Wang, M.; MacLean, E.J.; Mar, A.","Structure determination of niobium palladium arsenide, Nb5 Pd4 As4, from a 5 x 5 x 5 micro-m(exp3) crystal with synchrotron radiation","Journal of Solid State Chemistry","2003","172","","232","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","163843","2020-10-21","18:00:00",""
"1536263","9.93","","9.93","","2.936","","90","","90","","90","","289.504","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K1.8 (Li2.45 Sb5.55) O16","","- K1.8 Li2.45 O16 Sb5.55 -","- K1.76 Li2.448 O16 Sb5.552 -","- K1.76 Li2.448 O16 Sb5.552 -","1","0.0625","","Watelet, H.; Baud, G.; Besse, J.P.; Chevalier, R.","Determination structurale et proprietes de conduction d'un nouveau compose de type hollandite: K1.8 (Li2.45 Sb5.55) O16 ; mise en evidence d'une substructure d'ordre 3","Materials Research Bulletin","1982","17","","863","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","163914","2020-10-21","18:00:00",""
"1536302","14.386","","14.386","","7.2778","","90","","90","","90","","1506.19","","","","","","","","","","","","","4","I 4/m","-I 4","87","","(Eu0.38 Ba0.62) (Al F5)","","- Al Ba0.62 Eu0.38 F5 -","- Al Ba0.615 Eu0.385 F5 -","- Al16 Ba9.84 Eu6.16 F80 -","16","1","","Weil, M.; Kubel, F.","Single crystal growth and classification of Eu Al F5 and solid solutions M(II)1-x Eux Al F5 (M = Ca, Sr, Ba) within the structural family of tetragonal M(II) M(III) F5 compounds","Journal of Solid State Chemistry","2002","164","","150","156","10.1006/jssc.2001.9464","","","","","","","","","","","","","","","","","","","","","has coordinates","288343","2023-12-15","15:49:38",""
"1536323","12.0413","","12.0413","","7.5809","","90","","90","","90","","1099.18","","","","","","","","","","","","","8","I 4/m","-I 4","87","","(Na0.752 K0.06 Ca0.144)4 (Si8.32 Al3.52 O24) Cl0.92 (C O3)0.08","","- C0.08 Al3.52 Ca0.576 Cl0.92 K0.24 Na3.008 O24.24 Si8.32 -","- C0.08 Al3.52 Ca0.576 Cl0.92 K0.24 Na3.008 O24.24 Si8.32 -","- C0.16 Al7.04 Ca1.152 Cl1.84 K0.48 Na6.016 O48.48 Si16.64 -","2","0.125","","Kabalov, Yu.K.; Sokolova, E.V.","Refinement of crystal structures of scapolites by the Rietveld method: marialites (6.4,8.1 and 15%Me)","Kristallografiya","1996","41","","461","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536355","14.2327","","14.2327","","7.2309","","90","","90","","90","","1464.76","","","","","","","","","","","","","4","I 4/m","-I 4","87","","(Sr0.75 Ba0.25) (Al F5)","","- Al Ba0.25 F5 Sr0.75 -","- Al Ba0.253 F5 Sr0.747 -","- Al16 Ba4.048 F80 Sr11.952 -","16","1","","Weil, M.; Kubel, F.","Der Uebergang von isolierten dimeren (Al F4/1 F2/2)2 Gruppen aus kantenverknuepften Oktaedern zu unendlichen linearen (infty 1)(Al F4/1 F2/2)-Ketten eckenverknuepfter Oktaeder in den tetragonalen Verbindungen (Sr, M) Al F5 (M= Ca, Ba) - der Einfluss des unterschiedlichen Substitutionsgrades von Sr durch Ba und Ca","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1053","1058","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536359","14.2315","","14.2315","","7.2033","","90","","90","","90","","1458.93","","","","","","","","","","","","","5","I 4/m","-I 4","87","","(Ca0.13 Sr0.56 Ba0.31) (Al F5)","","- Al Ba0.31 Ca0.13 F5 Sr0.56 -","- Al Ba0.316 Ca0.13 F5 Sr0.554 -","- Al16 Ba5.056 Ca2.08 F80 Sr8.864 -","16","1","","Weil, M.; Kubel, F.","Der Uebergang von isolierten dimeren (Al F4/1 F2/2)2 Gruppen aus kantenverknuepften Oktaedern zu unendlichen linearen (infty 1)(Al F4/1 F2/2)-Ketten eckenverknuepfter Oktaeder in den tetragonalen Verbindungen (Sr, M) Al F5 (M = Ca, Ba) - der Einfluss des unterschiedlichen Substitutionsgrades von Sr durch Ba und Ca","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1053","1058","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536363","14.486","","14.486","","7.3355","","90","","90","","90","","1539.31","","","","","","","","","","","","","4","I 4/m","-I 4","87","","(Sr0.24 Ba0.76) (Al F5)","","- Al Ba0.76 F5 Sr0.24 -","- Al Ba0.7575 F5 Sr0.2425 -","- Al16 Ba12.12 F80 Sr3.88 -","16","1","","Weil, M.; Kubel, F.","Der Uebergang von isolierten dimeren (Al F4/1 F2/2)2 Gruppen aus kantenverknuepften Oktaedern zu unendlichen linearen (infty 1)(Al F4/1 F2/2)-Ketten eckenverknuepfter Oktaeder in den tetragonalen Verbindungen (Sr, M) Al F5 (M = Ca, Ba) - der Einfluss des unterschiedlichen Substitutionsgrades von Sr durch Ba und Ca","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1053","1058","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537085","8.749","","8.749","","19.554","","90","","90","","90","","1496.76","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Cs3 Se22 -","- Cs3 Se22 -","- Cs6 Se44 -","2","0.125","","Kromm, A.; Sheldrick, W.S.","Cs3 Se22: a selenium-rich cesium polyselenide containing Se8 crowns and (Se6(3-)) anions with radical character","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537280","14.7749","","14.7749","","11.189","","90","","90","","90","","2442.53","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","","- H8 Li3 Mo9 O41 S8 -","- H8 Li3 Mo9 O41 S8 -","- H16 Li6 Mo18 O82 S16 -","2","0.125","","du Peloux, C.; Secheresse, F.; Barboux, P.; Laurent, G.; Dolbecq, A.; Marrot, J.","Octanuclear Oxothiomolybdate (V) Rings: Structure and Ionic Conducting Properties","Chemistry - A European Journal","2004","10","","3026","3032","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537323","10.1908","","10.1908","","3.6004","","90","","90","","90","","373.91","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Nb5 Cu4 Si4","","- Cu4 Nb5 Si4 -","- Cu4 Nb5 Si4 -","- Cu8 Nb10 Si8 -","2","0.125","","Ganglberger, E.","Die Kristallstruktur von Nb5 Cu4 Si4","Monatshefte fuer Chemie (-108,1977)","1968","99","","549","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","165406","2020-10-21","18:00:00",""
"1537350","8.988","","8.988","","3.224","","90","","90","","90","","260.448","","","","","","","","","","","","","2","I 4/m","-I 4","87","","V5 S4","","- S4 V5 -","- S4 V5 -","- S8 V10 -","2","0.125","","Groenvold, F.; Haraldsen, H.; Pedersen, B.; Tufte, T.","X-Ray and Magnetic Study of Vanadium Sulfides in the Range V5 S4 to V5 S8","Revue de Chimie Minerale","1969","6","","215","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","165458","2020-10-21","18:00:00",""
"1537392","6.581","","6.581","","4.229","","90","","90","","90","","183.156","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Bi F5 -","- Bi F5 -","- Bi2 F10 -","2","0.125","","Hebecker, C.","Zur Kristallstruktur von Wismutpentafluorid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","384","","111","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537573","8.646","","8.646","","5.07","","90","","90","","90","","378.999","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Ni12 P5 -","- Ni12 P5 -","- Ni24 P10 -","2","0.125","","Larsson, E.","An x-ray investigation of the Ni-P system and the crystal structures of Ni P and Ni P2","Arkiv foer Kemi","1965","23","","335","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537598","10.741","","10.741","","10.377","","90","","90","","90","","1197.19","","","","","","","","","","","","","4","I 4/m","-I 4","87","","U3 (S O4)3 (O H)2 O2","","- H2 O16 S3 U3 -","- O16 S3 U3 -","- O64 S12 U12 -","4","0.25","","Lundgren, G.","The crystal structure of U6 O4 (O H)4 (S O4)6","Arkiv foer Kemi","1952","5","","349","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"1538078","10.314","","10.314","","3.5566","","90","","90","","90","","378.346","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Nb5 Sb4 -","- Nb5 Sb4 -","- Nb10 Sb8 -","2","0.125","","Furuseth, S.; Kjekshus, A.","On the arsenides and antimonides of niobium","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","1180","1195","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538310","10.661","","10.661","","10.288","","90","","90","","90","","1169.3","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ce3 (S O4)3 (O H)2 O2","","- Ce3 H2 O16 S3 -","- Ce3 O16 S3 -","- Ce12 O64 S12 -","4","0.25","","Lundgren, G.","The crystal structure of Ce6 O4 (O H)4 (S O4)6","Arkiv foer Kemi","1957","10","","183","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"1539323","6.873","","6.873","","4.298","","90","","90","","90","","203.029","","","","","","","","","","","","","2","I 4/m","-I 4","87","","Nb4 N5","","- N5 Nb4 -","- N5 Nb4 -","- N10 Nb8 -","2","0.125","","Terao, N.","New phase of niobium nitride","Journal of the Less-Common Metals","1971","23","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","168192","2020-10-21","18:00:00",""
"1541131","10.192","","10.192","","3.878","","90","","90","","90","","402.834","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ba Cu8 P4 -","- Ba Cu8 P4 -","- Ba2 Cu16 P8 -","2","0.125","","Pilchowski, I.; Mewis, A.; Wenzel, M.; Gruehn, R.","Ba Cu8 P4 und Ba Cu8 As4: Darstellung, Strukturbestimmung und elektronenmikroskopische Untersuchungen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","588","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541132","10.455","","10.455","","3.969","","90","","90","","90","","433.84","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Ba Cu8 As4","","- As4 Ba Cu8 -","- As4 Ba Cu8 -","- As8 Ba2 Cu16 -","2","0.125","","Pilchowski, I.; Gruehn, R.; Mewis, A.; Wenzel, M.","Ba Cu8 P4 und Ba Cu8 As4: Darstellung, Strukturbestimmung und elektronenmikroskopische Untersuchungen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","588","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541653","12.179","","12.179","","7.571","","90","","90","","90","","1122.99","","","","","","","","","","","","","6","I 4/m","-I 4","87","","(Ca3.4 Na0.64) ((Al5.43 Si6.59) O24) (C O3)0.88 O0.12","","- C0.88 Al5.43 Ca3.4 Na0.64 O26.76 Si6.59 -","- C0.88 Al5.4 Ca3.3664 Na0.6336 O26.76 Si6.6 -","- C1.76 Al10.8 Ca6.7328 Na1.2672 O53.52 Si13.2 -","2","0.125","","Aitken, B.G.; Evans, H.T.jr.; Konnert, J.A.","The crystal structure of a synthetic meionite","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1984","149","","309","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","173043","2020-10-21","18:00:00",""
"1542076","10.72","","10.72","","7.99","","90","","90","","90","","918.198","","","","","","","","","","","","","6","I 4/m","-I 4","87","","Na2 (Ti0.75 Fe0.25) (O0.5 (O H)0.5) (Si4 O10)","","- Fe0.25 H0.5 Na2 O11 Si4 Ti0.75 -","- Fe0.25 Na2 O11 Si4 Ti0.75 -","- Fe Na8 O44 Si16 Ti3 -","4","0.25","","Pyatenko, Yu.A.; Pudovkina, Z.V.","Crystal structure of narsarsukite","Kristallografiya","1960","5","","563","573","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542963","14.313","0.006","14.313","0.006","25.736","0.012","90","","90","","90","","5272","4","93","","93","","","","","","","","","5","I 4/m","-I 4","87","","","","- C124 H72 Cl16 N16 Tb2 -","- C124 H72 Cl16 N16 Tb2 -","- C248 H144 Cl32 N32 Tb4 -","2","0.125","","Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro","Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets","Chem. Sci.","2016","7","7","4329","","10.1039/C5SC04669F","","","0.71075","MoKα","","","0.06","","","","0.1761","","","","","","1.153","","","","has coordinates","185125","2020-10-21","18:00:00",""
"1544361","5.7783","0.0002","5.7783","0.0002","8.1929","0.0006","90","","90","","90","","273.55","0.02","","","","","","","","","","","","4","I 4/m","-I 4","87","Sr2InTaO6 @750C","","","- In O6 Sr2 Ta -","- In O6 Sr2 Ta -","- In2 O12 Sr4 Ta2 -","2","0.125","","Zhou, Q.; Kennedy, B.J.; Avdeev, M.","Crystal structure and phase transitions in Sr2InTaO6 sample: 750 C","Physics and Chemistry of Minerals","2013","40","","603","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","187598","2020-10-21","18:00:00",""
"1544719","9.915","0.009","9.915","0.009","2.866","0.003","90","","90","","90","","281.7","0.5","","","","","","","","","","","","3","I 4/m","-I 4","87","Rb1.5Mn8O16","","synthetic hollandite","- Mn8 O16 Rb1.5 -","- Mn8 O16 Rb1.514 -","- Mn8 O16 Rb1.514 -","1","0.0625","","Yamamoto, N.; Oka, Y.; Tamada, O.","Single crystal growth and structure determination of Rb1.5Mn8O16 hollandite","Mineralogical Journal","1990","15","","41","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","188874","2020-10-21","18:00:00",""
"1544720","9.832","0.001","9.832","0.001","2.8648","0.0005","90","","90","","90","","276.94","0.06","","","","","","","","","","","","7","I 4/m","-I 4","87","(K0.98Na0.33Ba0.06)(Mn7.84Fe0.16)O16*0.16H2O","","cryptomelane","- Ba0.06 Fe0.16 H0.32 K0.98 Mn7.84 Na0.33 O16.16 -","- Ba0.06 Fe0.16 K0.98 Mn7.84 Na0.33 O16 -","- Ba0.06 Fe0.16 K0.98 Mn7.84 Na0.33 O16 -","1","0.0625","","Kubo, H.; Miura, H.; Hariya, Y.","Tetragonal-monoclinic transformation of cryptomelane at high temperature","Mineralogical Journal","1990","15","","50","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","188875","2020-10-21","18:00:00",""
"1545628","15.091","0.005","15.091","0.005","7.67","0.003","90","","90","","90","","1746.8","1.1","","","293","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ba F5 Ti -","- Ba F5 Ti -","- Ba16 F80 Ti16 -","16","1","","Eicher, S. M.; Greedan, J. E.","Crystal structures and magnetic properties of BaTiF5 and CaTiF5","Journal of Solid State Chemistry","1984","52","","12","21","10.1016/0022-4596(84)90193-2","","x-ray","0.71069","MoKα","","","0.0332","","","0.0355","","","","","","","","","","","has coordinates","194450","2020-10-21","18:00:00",""
"1546127","14.294","0.003","14.294","0.003","7.307","0.003","90","","90","","90","","1493","0.8","","","293","","","","","","","","","3","I 4/m","-I 4","87","","","","- F19 Fe3 Sr5 -","- F19 Fe3 Sr5 -","- F76 Fe12 Sr20 -","4","0.25","","Graulich, J.; Babel, D.","Zweikernige aniongruppen [Fe2F10]4- in der kristallstruktur von Sr5Fe3F19","Zeitschrift fur anorganische und allgemeine Chemie","1991","597","","51","59","10.1002/zaac.19915970108","","x-ray","0.71069","MoKα","","","0.0519","","","0.0247","0.0191","","","","","","","","","","has coordinates","197026","2020-10-21","18:00:00",""
"1547343","15.8084","0.0009","15.8084","0.0009","24.853","0.003","90","","90","","90","","6210.9","0.9","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H112 As8 Ga Na5 O68 Pd12 -","- C48 H40 As8 Ga O52 Pd12 -","- C96 H80 As16 Ga2 O104 Pd24 -","2","0.125","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.0665","0.0547","","","0.171","0.1953","","","","","","1.036","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547344","15.8839","0.0006","15.8839","0.0006","25.1431","0.0019","90","","90","","90","","6343.6","0.6","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H102 As8 La Na5 O63 Pd12 -","- C48 H40 As8 La O48 Pd12 -","- C96 H80 As16 La2 O96 Pd24 -","2","0.125","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.0639","0.056","","","0.2025","0.2179","","","","","","1.086","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547346","15.7992","0.0006","15.7992","0.0006","24.954","0.002","90","","90","","90","","6228.9","0.6","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H100 As8 In Na5 O62 Pd12 -","- C48 H40 As8 In O50 Pd12 -","- C96 H80 As16 In2 O100 Pd24 -","2","0.125","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.0647","0.0552","","","0.196","0.2143","","","","","","1.012","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547689","33.081","0.005","33.081","0.005","15.832","0.003","90","","90","","90","","17326","5","123","2","123","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C25 H16 F8 O12 P4 Zr3 -","- C25 H16 F8 O12 P4 Zr3 -","- C200 H128 F64 O96 P32 Zr24 -","8","0.5","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0994","0.0674","","","0.2165","0.2456","","","","","","0.973","","","","has coordinates","202052","2020-10-21","18:00:00",""
"1547894","28.535","0.004","28.535","0.004","39.508","0.008","90","","90","","90","","32169","9","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C208 H168 Cu24 O144 S8 -","- C208 H144 Cu24 O144 S8 -","- C416 H288 Cu48 O288 S16 -","2","0.125","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.70001","synchrotron","","0.1089","0.0877","","","0.2814","0.3004","","","","","","1.045","","","","has coordinates","202898","2020-10-21","18:00:00",""
"1549392","19.6962","0.0007","19.6962","0.0007","29.9535","0.0013","90","","90","","90","","11620.2","0.8","299.43","","299.43","","","","","","","","","5","I 4/m","-I 4","87","","","","- C60 H148 Cl42 O76 U38 -","- C60 H148 Cl42 O76 U38 -","- C120 H296 Cl84 O152 U76 -","2","0.125","","Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.","Chemical science","2018","9","22","5021","5032","10.1039/c8sc00752g","","","0.71073","MoKα","","0.1188","0.0409","","","0.0749","0.0942","","","","","","1.017","","","","has coordinates,has disorder","228644","2020-10-21","18:00:00",""
"1551164","28.6201","0.001","28.6201","0.001","39.803","0.002","90","","90","","90","","32603","2","129","0.1","129","0.1","","","","","","","","5","I 4/m","-I 4","87","","","","- C228 H204 Cu24 N12 O144 -","- C228 H204 Cu24 N12 O144 -","- C456 H408 Cu48 N24 O288 -","2","0.125","","Niu, Zheng; Wang, Lei; Fang, Sheng; Lan, Pui Ching; Aguila, Briana; Perman, Jason A.; Ma, Jian-Gong; Cheng, Peng; Li, Xiaopeng; Ma, Shengqian","Solvent-assisted coordination driven assembly of a supramolecular architecture featuring two types of connectivity from discrete nanocages","Chemical Science","2019","","","","","10.1039/C9SC01892A","","","0.71073","MoKα","","0.1727","0.0795","","","0.1971","0.2265","","","","","","0.819","","","","has coordinates,has disorder","215574","2020-10-21","18:00:00",""
"1552056","15.2613","0.0009","15.2613","0.0009","19.903","0.0015","90","","90","","90","","4635.6","0.5","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C80 H59 F11 N2 O37 Tb6 -","- C79.5 H59 F11 N2 O37 Tb6 -","- C159 H118 F22 N4 O74 Tb12 -","2","0.125","","Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi","Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks","Nature Chemistry","2014","6","","673","680","10.1038/nchem.1982","","","1.54178","CuKα","","0.0509","0.0435","","","0.1304","0.1384","","","","","","1.08","","","","has coordinates,has disorder","216874","2020-10-21","18:00:00",""
"1557166","7.0429","0.001","7.0429","0.001","11.444","0.002","90","","90","","90","","567.65","0.15","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","Bavsiite, Ba2V2O2(Si4O12), idealized","","","- Ba2 O14 Si4 V2 -","- Ba2 O14 Si4 V2 -","- Ba4 O28 Si8 V4 -","2","0.125","","Hans-Peter Bojar; Franz Walter; Judith Baumgartner","Bavsiite, Ba2V2O2[Si4O12], mineral data and crystal structure","Mineralogical Magazine","2019","83","","821","827","10.1180/mgm.2019.59","","","0.71073","MoKα","","0.0159","0.0159","","","0.0399","0.0399","","","","","","1.175","","","","has coordinates","247283","2020-10-21","18:00:00",""
"1557307","10.5454","0.0007","10.5454","0.0007","5.6246","0.0004","90","","90","","90","","625.49","0.07","","","293","","","","","","","","","4","I 4/m","-I 4","87","LiAl7B4O17","","","- Al7 B4 Li O17 -","- Al7 B4 Li2 O17 -","- Al14 B8 Li4 O34 -","2","0.125","","Ahman, Johan; Svensson, Goran; Grins, Jekabs","Lithium Aluminium Borate, LiAl7B4O17","Acta Chemica Scandinavica","1997","51","","1045","1050","10.3891/acta.chem.scand.51-1045","","x-ray","0.71069","MoKα","","","0.039","","","0.117","","","","","","","1.05","","","","has coordinates","248075","2020-10-21","18:00:00",""
"1559550","13.5956","0.0002","13.5956","0.0002","9.8681","0.0001","90","","90","","90","","1824.02","0.04","","","293","","","","","","","","","5","I 4/m","-I 4","87","trans-Dichlorotitanium(IV) Tetraphenylporphyrin","","","- C44 H28 Cl2 N4 Ti -","- C44 Cl2 N4 Ti -","- C88 Cl4 N8 Ti2 -","2","0.125","","Christensen, A. Norlund; Grand, A.; Lehmann, M. S.; Cox, D. E.","A Synchrotron X-Ray Powder Diffraction Study of the Structure of trans-Dichlorotitanium(IV) Tetraphenylporphyrin","Acta Chemica Scandinavica","1990","44","","103","105","10.3891/acta.chem.scand.44-0103","powder diffraction","x-ray","1.315","","","","","","","","","","0.128","","","","","","","","has coordinates","259247","2020-11-25","08:40:25",""
"1562187","10.192","0.004","10.192","0.004","2.9764","0.0013","90","","90","","90","","309.2","0.2","150","2","150","2","","","","","","","","4","I 4/m","-I 4","87","Potassium Titanium Nickel Oxide","Potassium Titanium Nickel Oxide","","- K1.55 Ni0.78 O16 Ti7.22 -","- K1.552 Ni0.776 O16 Ti7.224 -","- K1.552 Ni0.776 O16 Ti7.224 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","","","0.71073","MoKα","","0.0211","0.0175","","","0.0395","0.0405","","","","","","1","","","","has coordinates","264623","2021-04-28","07:38:17",""
"1562188","10.244","0.002","10.244","0.002","3.0077","0.0007","90","","90","","90","","315.63","0.11","149","2","149","2","","","","","","","","4","I 4/m","-I 4","87","Potassium Titanium Scandium Oxide","Potassium Titanium Scandium Oxide","","- K1.51 O16 Sc1.51 Ti6.49 -","- K1.512 O16 Sc1.512 Ti6.488 -","- K1.512 O16 Sc1.512 Ti6.488 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","","","0.71073","MoKα","","0.022","0.0191","","","0.0433","0.0443","","","","","","1","","","","has coordinates","264623","2021-04-28","07:38:20",""
"1562189","10.141","0.006","10.141","0.006","2.9637","0.0017","90","","90","","90","","304.8","0.3","150","2","150","2","","","","","","","","4","I 4/m","-I 4","87","Potassium Titanium Chromium Oxide","Potassium Titanium Chromium Oxide","","- Cr1.54 K1.54 O16 Ti6.46 -","- Cr1.544 K1.54 O16 Ti6.456 -","- Cr1.544 K1.54 O16 Ti6.456 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","","","0.71073","MoKα","","0.0304","0.0242","","","0.0498","0.0513","","","","","","1.117","","","","has coordinates","264623","2021-04-28","07:38:20",""
"1562190","10.1539","0.0008","10.1539","0.0008","2.9684","0.0002","90","","90","","90","","306.05","0.04","149","2","149","2","","","","","","","","4","I 4/m","-I 4","87","Potassium titanium vanadium oxide","Potassium titanium vanadium oxide","","- K1.6 O16 Ti6.4 V1.6 -","- K1.602 O16 Ti6.3992 V1.6008 -","- K1.602 O16 Ti6.3992 V1.6008 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","","","0.71073","MoKα","","0.014","0.0136","","","0.0358","0.036","","","","","","1","","","","has coordinates","264623","2021-04-28","07:38:20",""
"1562191","10.2386","0.0017","10.2386","0.0017","2.9794","0.0005","90","","90","","90","","312.33","0.09","150","2","150","2","","","","","","","","3","I 4/m","-I 4","87","Potassium titanium oxide","Potassium titanium oxide","","- K1.36 O16 Ti8 -","- K1.38 O16 Ti8 -","- K1.38 O16 Ti8 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","","","0.71073","MoKα","","0.0158","0.0147","","","0.0391","0.0396","","","","","","1","","","","has coordinates","264623","2021-04-28","07:38:20",""
"1562192","10.153214","0.000097","10.153214","0.000097","2.96732","0.000033","90","","90","","90","","305.894","0.005","300","","300","","","","","","","","Synthesized","4","I 4/m","-I 4","87","","","","- Fe1.52 K1.53 O16 Ti6.48 -","- Fe1.52 K1.53 O16 Ti6.48 -","- Fe1.52 K1.53 O16 Ti6.48 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","2.011","1.63","","","","","","","has coordinates","264624","2021-04-28","07:41:06",""
"1562193","10.185483","0.00006","10.185483","0.00006","2.953156","0.000021","90","","90","","90","","306.372","0.003","300","","300","","","","","","","","Synthesized","4","I 4/m","-I 4","87","","","","- K1.4 Mn1.36 O16 Ti6.64 -","- K1.398 Mn1.36 O16 Ti6.64 -","- K1.398 Mn1.36 O16 Ti6.64 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","1.81","1.61","","","","","","","has coordinates","264624","2021-04-28","07:41:16",""
"1562194","10.15689","0.00011","10.15689","0.00011","2.96478","0.000036","90","","90","","90","","305.854","0.006","300","","300","","","","","","","","Synthesized","4","I 4/m","-I 4","87","","","","- Co0.73 K1.47 O16 Ti7.27 -","- Co0.728 K1.474 O16 Ti7.272 -","- Co0.728 K1.474 O16 Ti7.272 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","1.094","1.59","","","","","","","has coordinates","264624","2021-04-28","07:41:18",""
"1562195","10.146517","0.000033","10.146517","0.000033","2.963254","0.000018","90","","90","","90","","305.072","0.002","300","","300","","","","","","","","Synthesized","4","I 4/m","-I 4","87","","","","- K1.63 Ni0.76 O16 Ti7.24 -","- K1.626 Ni0.76 O16 Ti7.24 -","- K1.626 Ni0.76 O16 Ti7.24 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","3.816","1.87","","","","","","","has coordinates","264624","2021-04-28","07:41:20",""
"1562201","11.2619","0.0003","11.2619","0.0003","8.3053","0.0004","90","","90","","90","","1053.36","0.06","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- F O10 Rb2 Sc Si4 -","- F O10 Rb2 Sc Si4 -","- F4 O40 Rb8 Sc4 Si16 -","4","0.25","","Kahlenberg, Volker; Manninger, Tanja; Perfler, Lukas; Többens, Daniel M.","One-pot occurrence of two polymorphs of Rb 2 Sc[Si 4 O 10 ]F and their structural, spectroscopic and computational characterization","Journal of Solid State Chemistry","2014","220","","79","90","10.1016/j.jssc.2014.08.002","","","0.71073","MoKα","","0.0235","0.0231","","","0.0581","0.0585","","","","","","1.154","","","","has coordinates","264629","2021-04-28","08:00:30",""
"1563079","5.93741","0.00035","5.93741","","8.4015","0.0007","90","","90","","90","","296.18","0.03","","","","","","","","","","","","4","I 4/m","-I 4","87","","","","- Ba2 Ca O6 W -","- Ba2 Ca O6 W -","- Ba4 Ca2 O12 W2 -","2","0.125","","Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W.","Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides","Journal of Solid State Chemistry","2012","185","","107","116","10.1016/j.jssc.2011.11.007","powder diffraction","","","","","","","","","","","","","1.23","","","","","","","has coordinates","265669","2021-06-02","07:58:58",""
"1563082","5.58682","0.00026","5.58682","","7.9864","0.0004","90","","90","","90","","249.276","0.017","","","","","","","","","","","","4","I 4/m","-I 4","87","","","","- Mo O6 Sr2 Zn -","- Mo O6 Sr2 Zn -","- Mo2 O12 Sr4 Zn2 -","2","0.125","","Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W.","Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides","Journal of Solid State Chemistry","2012","185","","107","116","10.1016/j.jssc.2011.11.007","powder diffraction","","","","","","","","","","","","","1.58","","","","","","","has coordinates","265672","2021-06-02","08:09:23",""
"1567889","10.9954","0.0004","10.9954","0.0004","25.0526","0.0014","90","","90","","90","","3028.8","0.2","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H28 I6 N4 Pb -","- C16 H28 I6 N4 Pb -","- C64 H112 I24 N16 Pb4 -","4","0.25","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","x-ray","0.71073","MoKα","","0.0574","0.0375","","","0.0878","0.0972","","","","","","1.053","","","","has coordinates,has disorder","281622","2023-03-04","18:50:42",""
"1568020","17.7478","0.0001","17.7478","0.0001","25.9278","0.0002","90","","90","","90","","8166.85","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C30 H15 F2 N3 O6.62 Y1.5 -","- C30 H15 F2 N3 O6.625 Y1.5 -","- C240 H120 F16 N24 O53 Y12 -","8","0.5","","Balkus, Kenneth J.; Abbas, Muhammad; Maceda, Amanda M.; Firouzi, Hamid R.; Xiao, Zhifeng; Arman, Hadi; Shi, Yanshu; Zhou, Hong-Cai","Fluorine Extraction from Organofluorine Molecules to Make Fluorinated Clusters in Yttrium MOFs","Chemical Science","2022","","","","","10.1039/D2SC05143E","","x-ray","1.54184","CuKα","","0.0661","0.0653","","","0.1453","0.1457","","","","","","1.094","","","","has coordinates,has disorder","279583","2022-11-27","23:10:34",""
"1568136","11.232","0.0016","11.232","0.0016","4.0301","0.0008","90","","90","","90","","508.43","0.14","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Cu4 Na4.39 O Se4 -","- Cu4 Na4.39 O Se4 -","- Cu8 Na8.78 O2 Se8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.051","0.0384","","","0.0856","0.0879","","","","","","0.884","","","","has coordinates","279962","2022-12-21","12:56:44",""
"1568139","10.9081","0.0015","10.9081","0.0015","3.886","0.0008","90","","90","","90","","462.38","0.13","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Cu4 Na4.55 O S4 -","- Cu4 Na4.54 O S4 -","- Cu8 Na9.08 O2 S8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0641","0.025","","","0.0274","0.0311","","","","","","0.485","","","","has coordinates","279965","2022-12-21","13:01:02",""
"1568143","12.335","0.002","12.335","0.002","4.433","0.0008","90","","90","","90","","674.5","0.2","100","","100","","","","","","","","","4","I 4/m","-I 4","87","","","","- Cu3.52 K4.33 O0.88 Se4 -","- Cu3.508 K4.35 O0.86 Se4 -","- Cu7.016 K8.7 O1.72 Se8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0489","0.0385","","","0.091","0.097","","","","","","1.143","","","","has coordinates","279969","2022-12-21","13:09:55",""
"1568148","20.247","0.003","20.247","0.003","3.9958","0.0008","90","","90","","90","","1638","0.5","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- Ba9 Cu13.46 Na4 O8 S12 -","- Ba9 Cu13.46 Na4 O8 S12 -","- Ba18 Cu26.92 Na8 O16 S24 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0599","0.0215","","","0.0501","0.0529","","","","","","0.419","","","","has coordinates","279974","2022-12-21","16:04:47",""
"1568160","10.561","0.0015","10.561","0.0015","3.974","0.0008","90","","90","","90","","443.24","0.13","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Cu6.09 Rb Se4 -","- Cu6.064 Rb Se4 -","- Cu12.128 Rb2 Se8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.2478","0.0586","","","0.0815","0.0999","","","","","","0.441","","","","has coordinates","279986","2022-12-21","16:24:02",""
"1569672","30.937","0.0002","30.937","0.0002","31.2314","0.0003","90","","90","","90","","29891.5","0.4","200","","200","","","","","","","","","5","I 4/m","-I 4","87","","","","- C224 H96 N8 O144 Ru24 -","- C224 H72 N8 O144 Ru24 -","- C448 H144 N16 O288 Ru48 -","2","0.125","","Troyano, Javier; Tayier, Fuerkaiti; Phattharaphuti, Phitchayapha; Aoyama, Takuma; Urayama, Kenji; Furukawa, Shuhei","Porous supramolecular gels produced by reversible self-gelation of ruthenium-based metal-organic polyhedra.","Chemical science","2023","14","35","9543","9552","10.1039/d3sc02888g","","x-ray","0.71073","MoKα","","0.0624","0.0505","","","0.1402","0.1533","","","","","","1.009","","","","has coordinates","286718","2023-10-05","23:53:06",""
"1572218","12.3899","0.0001","12.3899","0.0001","27.31","0.0004","90","","90","","90","","4192.35","0.08","180","0.1","180","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C42 H6 F20 N4 O2 S2 -","- C42 H6 F20 N4 O2 S2 -","- C168 H24 F80 N16 O8 S8 -","4","0.25","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.0562","0.0502","","","0.1405","0.1445","","","","","","1.033","","","","has coordinates","294493","2024-09-05","23:57:58",""
"1572507","13.8982","0.0003","13.8982","0.0003","5.7651","0.0001","90","","90","","90","","1113.59","0.04","","","298","","","","100","","","","","4","I 4/m","-I 4","87","Gd8Ba5Co4O21","","","- Ba5 Co4 Gd8 O21 -","- Ba5 Co4 Gd8 O21 -","- Ba10 Co8 Gd16 O42 -","2","0.125","","Urushihara, D.; Maruyama, M.; Fukuda, K.; Asaka, T.","Synthesis and structural characterization of gadolinium barium cobalt oxide Gd8Ba5Co4O21 with CoO5 square pyramids","Journal of the Ceramic Society of Japan","2024","132","","252","256","10.2109/jcersj2.23200","","","","","","","","","","","","","","","","","","","","","has coordinates","294392","2024-09-05","06:36:07",""
"1572581","32.2143","0.0003","32.2143","0.0003","27.1465","0.0004","90","","90","","90","","28171.6","0.6","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Ag30 O184 P8 W48 -","- Ag30 O184 P8 W48 -","- Ag60 O368 P16 W96 -","2","0.125","","Yanai, Daiki; Yonesato, Kentaro; Kikkawa, Soichi; Yamazoe, Seiji; Yamaguchi, Kazuya; Suzuki, Kosuke","Electronic state modulation of Ag<sub>30</sub> nanoclusters within a ring-shaped polyoxometalate.","Nanoscale","2024","16","39","18383","18388","10.1039/d4nr02547d","","","0.41344","Synchrotron","","0.0802","0.0668","","","0.2262","0.2497","","","","","","1.04","","","","has coordinates,has disorder","296619","2024-12-06","20:05:27",""
"1572714","11.321","0.003","11.321","","9.154","0.003","90","","90","","90","","1173.2","0.5","293","2","293.15","","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H26 Ag2 N4 O13 -","- C16 H26 Ag2 N4 O13 -","- C32 H52 Ag4 N8 O26 -","2","0.125","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0299","0.0293","","","0.0811","0.0817","","","","","","1.149","","","","has coordinates,has disorder","296379","2024-12-06","16:33:59",""
"1572715","11.3504","0.0005","11.3504","0.0005","8.7443","0.0004","90","","90","","90","","1126.54","0.09","122","2","122","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C16 H24 Ag Cs N4 O12 -","- C16 H24 Ag Cs N4 O12 -","- C32 H48 Ag2 Cs2 N8 O24 -","2","0.125","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.023","0.0218","","","0.0511","0.0518","","","","","","1.133","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572718","11.3963","0.0009","11.3963","0.0009","8.5069","0.0006","90","","90","","90","","1104.84","0.15","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C32 H48 Ag2 N8 O24 Rb2 -","- C32 H48 Ag2 N8 O24 Rb2 -","- C32 H48 Ag2 N8 O24 Rb2 -","1","0.0625","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0305","0.0214","","","0.0438","0.0459","","","","","","1.125","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572719","11.554","0.004","11.554","","8.42","0.003","90","","90","","90","","1124","0.6","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","potassium tetrasuccinimidatoargentate(III)","","- C2 H3 Ag0.12 K0.12 N0.5 O1.5 -","- C2 H3 Ag0.125 K0.125 N0.5 O1.5 -","- C32 H48 Ag2 K2 N8 O24 -","16","1","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0143","0.0143","","","0.0398","0.0398","","","","","","1.209","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1574420","26.5679","0.0003","26.5679","0.0003","23.7512","0.0005","90","","90","","90","","16764.9","0.4","99.99","0.11","100.15","","","","","","","","","7","I 4/m","-I 4","87","","","","- C325 H377 Ag4 Cl32 Cu28 P8 S16 -","- C280 H272 Ag4 Cl32 Cu28 P8 S16 -","- C560 H544 Ag8 Cl64 Cu56 P16 S32 -","2","0.125","","Nag, Abhijit; Butt, Abdul Mannan; Yang, Moon Young; Managutti, Praveen B.; Pirzada, Bilal Masood; H Mohideen, M Infas; Abdelhady, Ahmed L.; Abu Haija, Mohamed; Mohamed, Sharmarke; Merinov, Boris V.; GoddardIII, William A; Qurashi, Ahsanulhaq","An atomically precise alloy AgCu cuboid nanocluster with a cubic core: gram scale synthesis, total structure, electronic structure, and catalytic performance.","Materials horizons","2025","12","14","5252","5258","10.1039/d4mh01324g","","","1.54184","CuKα","","0.1003","0.0806","","","0.2607","0.2919","","","","","","1.094","","","","has coordinates,has disorder","301647","2025-08-05","22:36:11",""
"1575257","19.719","0.0005","19.719","0.0005","22.155","0.0009","90","","90","","90","","8614.7","0.5","100","2","100","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Na24 O180 U24 -","- Na24 O180 U24 -","- Na48 O360 U48 -","2","0.125","","Samarasiri, Vidumini S.; Rajapaksha, Harindu; McGee, Sarah; Mason, Sara E.; Forbes, Tori Z.","Formation of U(VI) peroxide nanoclusters from cascade reactions with a persulfate radical initiator.","Dalton transactions (Cambridge, England : 2003)","2025","54","35","13129","13142","10.1039/d5dt00785b","","","0.71073","MoKα","","0.0501","0.0364","","","0.085","0.0913","","","","","","1.057","","","","has coordinates","302657","2025-10-06","09:30:30",""
"1575396","24.3152","0.0003","24.3152","0.0003","18.9359","0.0004","90","","90","","90","","11195.5","0.3","100","0.9","100","0.9","","","","","","","","4","I 4/m","-I 4","87","","","","- C108 H64 O44 Zr6 -","- C108 H64 O43.96 Zr6 -","- C216 H128 O87.92 Zr12 -","2","0.125","","Li, Hao; Amombo Noa, Francoise M.; Åhlén, Michelle; Cao, Zhejian; Andréasson, Joakim; Cheung, Ocean; Öhrström, Lars","On metal-organic framework isomers, and the SF<sub>6</sub> sorption and fluorescence of an In and a Zr MOF with a tritopic linker.","Chemical communications (Cambridge, England)","2025","61","74","14129","14132","10.1039/d5cc02180d","","x-ray","1.54184","CuKα","","0.0585","0.0512","","","0.1572","0.1634","","","","","","1.035","","","","has coordinates,has disorder","302429","2025-10-06","07:02:34",""
"1575537","30.9423","0.0006","30.9423","0.0006","19.3961","0.0007","90","","90","","90","","18570.3","0.8","149","2","149","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C176 H216 F84 N32 P16 Pd8 -","- C176 H216 F84 N32 P16 Pd8 -","- C352 H432 F168 N64 P32 Pd16 -","2","0.125","","Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.","Chemical science","2025","16","37","17127","17138","10.1039/d5sc03202d","","","1.54178","CuKα","","0.1726","0.108","","","0.3261","0.3819","","","","","","1.072","","","","has coordinates","302484","2025-10-06","07:34:45",""
"2002535","14.2104","0.0054","14.2104","0.0054","5.8581","0.0096","90","","90","","90","","1183","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Barium manganese neodymium oxide (5/4/8/21)","","- Ba5 Mn4 Nd8 O21 -","- Ba5 Mn4 Nd8 O21 -","- Ba10 Mn8 Nd16 O42 -","2","0.125","","Mueller-Buschbaum, Hk; Kluever, E","Ein neues Oxometallat mit Mangan(II): Ba5 Mn4 Nd8 O21","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","612","","21","24","10.1002/zaac.19926120105","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002545","13.996","0.005","13.996","0.005","5.7967","0.0017","90","","90","","90","","1135.5","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Pentabarium tetramanganese octagadolinium oxide","","- Ba5 Gd8 Mn4 O21 -","- Ba5 Gd8 Mn4 O21 -","- Ba10 Gd16 Mn8 O42 -","2","0.125","","Mueller-Buschbaum, Hk; Rabbow, C","Die Kristallstruktur von Ba5 Mn4 Gd8 O21","Journal of Alloys Compd.","1992","190","","L27","L28","10.1016/0925-8388(92)90164-5","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002556","14.0911","0.004","14.0911","0.004","5.8329","0.0028","90","","90","","90","","1158.2","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Pentabarium tetramanganese octasamarium oxide","","- Ba5 Mn4 O21 Sm8 -","- Ba5 Mn4 O21 Sm8 -","- Ba10 Mn8 O42 Sm16 -","2","0.125","","Kluever, E; Peters, E; Mueller-Buschbaum, Hk","Zwei weitere Oxometallate zum Ba5 Mn4 Ln8 O21-Typ: Ba5 Mn4 Sm8 O21 und Ba5 Mn4 Ho8 O21","Journal of Alloys Compd.","1992","189","","101","105","10.1016/0925-8388(92)90053-C","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002557","13.8507","0.0014","13.8507","0.0014","5.7452","0.0009","90","","90","","90","","1102.2","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Pentabarium tetramanganese octaholmium oxide","","- Ba5 Ho8 Mn4 O21 -","- Ba5 Ho8 Mn4 O21 -","- Ba10 Ho16 Mn8 O42 -","2","0.125","","Kluever, E; Peters, E; Mueller-Buschbaum, Hk","Zwei weitere Oxometallate zum Ba5 Mn4 Ln8 O21-Typ: Ba5 Mn4 Sm8 O21 und Ba5 Mn4 Ho8 O21","Journal of Alloys Compd.","1992","189","","101","105","10.1016/0925-8388(92)90053-C","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002640","13.702","0.002","13.702","0.002","5.684","0.001","90","","90","","90","","1067.1","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Pentabarium octaerbium tetrazincate","","- Ba5 Er8 O21 Zn4 -","- Ba5 Er8 O21 Zn4 -","- Ba10 Er16 O42 Zn8 -","2","0.125","","Rabbow, Ch; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Erdalkalimetall-Lanthanoid-Oxozinkaten: (I)Ba2 Tm2 Zn8 O13,(II)Ba2 Y2 Zn8 O13,(III)Ba Er2 Zn O5 und (IV)Ba5 Er8 Zn4 O21","Journal of Alloys Compd.","1994","206","","163","167","10.1016/0925-8388(94)90029-9","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002718","9.945","0.002","9.945","0.002","2.915","0.003","90","","90","","90","","288.3","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Bismuth copper vanadium oxide (1.9/4/4/16)","","- Bi1.9 Cu4 O16 V4 -","- Bi1.9 Cu4 O16 V4 -","- Bi1.9 Cu4 O16 V4 -","1","0.0625","","Feldmann, J; Mueller-Buschbaum, Hk","Kristallstrukturuntersuchung an einem wismuthaltigen Hollandit: Bi1.9 Cu4 V4 O16","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1163","1166","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002745","22.73099","0.001","22.73099","0.001","5.672","0.001","90","","90","","90","","2930.7","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium ytterbium platinum zink oxide (17/16/4/8/57)","","- Ba17 O57 Pt4 Yb16 Zn8 -","- Ba17 O57 Pt4 Yb16 Zn8 -","- Ba34 O114 Pt8 Yb32 Zn16 -","2","0.125","","Rabbow, C; Sfreddo, O; Mueller-Buschbaum, Hk","Ueber ein Barium - Lanthanoid - Oxozinkat - Platinat(IV): Ba17 Yb16 Zn8 Pt4 O57","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","220","224","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002781","9.943","0.002","9.943","0.002","2.893","0.002","90","","90","","90","","286","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Barium bismuth vanadium oxide (0.5/0.9/8/16)","","- Ba0.5 Bi0.9 O16 V8 -","- Ba0.4568 Bi0.9156 O16 V8 -","- Ba0.4568 Bi0.9156 O16 V8 -","1","0.0625","","Feldmann, J; Mueller-Buschbaum, Hk","Ueber einen Hollandit des Vanadiums: Ba0,5 Bi0,9 V8 O16","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1037","1039","","","","","","","0.1398","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002816","22.758","0.001","22.758","0.001","5.684","0.001","90","","90","","90","","2943.9","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium tamarium zinc platinum oxide (17/16/8/4/57)","","- Ba17 O57 Pt4 Tm16 Zn8 -","- Ba17 O57 Pt4 Tm16 Zn8 -","- Ba34 O114 Pt8 Tm32 Zn16 -","2","0.125","","Sfreddo, O; Rabbow, C; Mueller-Buschbaum, Hk","Zur Kristallchemie von Oxozinkat-Platinaten und Oxozinkaten der Zusammensetzung Ba17 Tm16 Zn8 Pt4 O57 und Ba5 Tm8 Zn4 O21","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","699","704","10.1002/zaac.199762301111","","","","","","0.2106","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002817","13.652","0.001","13.652","0.001","5.664","0.001","90","","90","","90","","1055.6","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Barium zinc tamarium oxide (5/4/8/21)","","- Ba5 O21 Tm8 Zn4 -","- Ba5 O21 Tm8 Zn4 -","- Ba10 O42 Tm16 Zn8 -","2","0.125","","Sfreddo, O; Rabbow, C; Mueller-Buschbaum, Hk","Zur Kristallchemie von Oxozinkat-Platinaten und Oxozinkaten der Zusammensetzung Ba17 Tm16 Zn8 Pt4 O57 und Ba5 Tm8 Zn4 O21","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","699","704","10.1002/zaac.199762301111","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002834","18.659","0.007","18.659","0.007","5.734","0.002","90","","90","","90","","1996.3","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium dysprosium platinum zinc oxide (13/8/4/4/37)","","- Ba13 Dy8 O37 Pt4 Zn4 -","- Ba13 Dy8 O37 Pt4 Zn4 -","- Ba26 Dy16 O74 Pt8 Zn8 -","2","0.125","","Mueller-Buschbaum, Hk; Sfreddo, O","Zur Kristallchemie von Oxozinkat-Platinaten und Oxozinkaten der Zusammensetzung Ba13 Dy8 Zn4 Pt4 O37","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","553","556","","","","","","","0.0831","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002841","22.905","0.001","22.905","0.001","5.728","0.001","90","","90","","90","","3005.1","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium dysprosium zinc platinum oxide (17/6/8/4/57)","","- Ba17 Dy16 O57 Pt4 Zn8 -","- Ba17 Dy16 O57 Pt4 Zn8 -","- Ba34 Dy32 O114 Pt8 Zn16 -","2","0.125","","Sfreddo, O; Mueller-Buschbaum, Hk","Weitere Verbindungen des Ba17 Ln16 Zn8 Pt4 O57-Typs mit Ln= Dy, Ho, Er, Y","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","1067","1071","","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002842","22.84029","0.001","22.84029","0.001","5.722","0.001","90","","90","","90","","2985","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium dysprosium zinc platinum oxide (17/16/8/4/57)","","- Ba17 Ho16 O57 Pt4 Zn8 -","- Ba17 Ho16 O57 Pt4 Zn8 -","- Ba34 Ho32 O114 Pt8 Zn16 -","2","0.125","","Sfreddo, O; Mueller-Buschbaum, Hk","Weitere Verbindungen zum Ba17 Ln16 Zn8 Pt4 O57-Typ mit Ln= Dy, Ho, Er, Y","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","1067","1071","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002843","22.79538","0.001","22.79538","0.001","5.7003","0.001","90","","90","","90","","2962","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium erbium zinc platinum oxide (17/16/8/4/57)","","- Ba17 Er16 O57 Pt4 Zn8 -","- Ba17 Er16 O57 Pt4 Zn8 -","- Ba34 Er32 O114 Pt8 Zn16 -","2","0.125","","Sfreddo, O; Mueller-Buschbaum, Hk","Weitere Verbindungen zum Ba17 Ln16 Zn8 Pt4 O57-Typ mit Ln= Dy, Ho, Er, Y","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","1067","1071","","","","","","","0.1283","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002844","22.84839","0.001","22.84839","0.001","5.7086","0.001","90","","90","","90","","2980.2","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium yttrium zinc platinum oxide (17/16/8/4/57)","","- Ba17 O57 Pt4 Y16 Zn8 -","- Ba17 O57 Pt4 Y16 Zn8 -","- Ba34 O114 Pt8 Y32 Zn16 -","2","0.125","","Sfreddo, O; Mueller-Buschbaum, Hk","Weitere Verbindungen zum Ba17 Ln16 Zn8 Pt4 O57-Typ mit Ln= Dy, Ho, Er, Y","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","1067","1071","","","","","","","0.1454","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003034","9.9147","0.0003","9.9147","0.0003","8.6508","0.0006","90","","90","","90","","850.38","0.07","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Mo6 O12 Pr -","- Mo6 O12 Pr -","- Mo24 O48 Pr4 -","4","0.25","","Barrier, N.; Tortelier, J.; Gougeon, P.","A new reduced molybdenum oxide with hollandite-type structure, PrMo~6~O~12~","Acta Crystallographica, Section E","2001","57","","i3","i5","10.1107/S1600536800019048","","","0.71073","MoKα","","0.038","0.032","","","","0.081","","","","","","1.176","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2003105","8.71083","0.00004","8.71083","","17.32202","0.0001","90","","90","","90","","1314.37","0.01","293","","293","","","","","","","","","3","I 4/m","-I 4","87","","bismuth tungsten oxide","","- Bi14 O24 W -","- Bi14 O24 W -","- Bi28 O48 W2 -","2","0.125","OS0017","Ling, C. D.; Withers, R. L.; Thompson, J. G.; Schmid, S.","Structures of Bi~14~WO~24~ and Bi~14~MoO~24~ from neutron powder diffraction data","Acta Crystallographica Section B","1999","55","3","306","312","10.1107/S0108768198014086","","neutron","","neutron","","","","","","","","","","2.71","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003106","8.70839","0.00004","8.70839","","17.31634","0.00014","90","","90","","90","","1313.2","0.012","293","","293","","","","","","","","","3","I 4/m","-I 4","87","","bismuth tungsten oxide","","- Bi14 Mo O24 -","- Bi14 Mo O24 -","- Bi28 Mo2 O48 -","2","0.125","OS0017","Ling, C. D.; Withers, R. L.; Thompson, J. G.; Schmid, S.","Structures of Bi~14~WO~24~ and Bi~14~MoO~24~ from neutron powder diffraction data","Acta Crystallographica Section B","1999","55","3","306","312","10.1107/S0108768198014086","","neutron","","neutron","","","","","","","","","","2.59","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003882","14.285","0.007","14.285","0.007","7.227","0.003","90","","90","","90","","1474.8","1.2","370","","370","","","","","","","","melting and slow cooling","3","I 4/m","-I 4","","","","","- Al3 F19 Pb5 -","- Al3 F19 Pb5 -","- Al12 F76 Pb20 -","4","0.25","DU1109","Sarraute, S.; Ravez, J.; Bravic, G.; Chasseau, D.; Abrahams, S. C.","Paraelastic Pb~5~Al~3~F~19~ at 370 K","Acta Crystallographica Section C","1995","51","9","1731","1732","10.1107/S0108270195001879","","","0.71073","MoKα","","","0.053","","","0.058","","","","","1.12","1.12","","","","","has coordinates","281832","2023-03-13","07:39:36",""
"2004471","13.463","0.003","13.463","0.003","9.864","0.004","90","","90","","90","","1787.9","0.9","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","Chloro-(5,10,15,20-Tetraphenylporphinato)manganese(III)","","- C44 H28 Cl Mn N4 -","- C44 H28 Cl Mn N4 -","- C88 H56 Cl2 Mn2 N8 -","2","0.125","BK1136","Cheng, B.; Scheidt, W. R.","Chloro(5,10,15,20-tetraphenylporphyrinato)manganese(III) with 4/<i>m</i> Symmetry","Acta Crystallographica Section C","1996","52","2","361","363","10.1107/S0108270195009371","","","0.71073","MoKα","","0.0713","0.0546","","0.1466","0.1293","","","","1.101","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007415","15.6684","0.0008","15.6684","0.0008","3.829","0.001","90","","90","","90","","940","0.3","298","","298","","","","","","","","","3","I 4/m","-I 4","87","","Nonaniobium arsenic pentacosaoxide,","","- As Nb9 O25 -","- As Nb9 O25 -","- As2 Nb18 O50 -","2","0.125","BR1199","Ulutagay, Mutlu; Schimek, George L.; Hwu, Shiou-Jyh","A Niobium(V) Arsenate: Nb~9~AsO~25~","Acta Crystallographica Section C","1998","54","7","898","900","10.1107/S0108270198000134","","","0.71073","MoKα","","0.0295","0.0259","","0.0528","0.0522","","","","","1.69","1.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007791","10.901","0.002","10.901","0.002","17.403","0.002","90","","90","","90","","2068","0.6","296.2","","296.2","","","","","","","","","6","I 4/m","-I 4","87","","hexamethylthiobenzenecopper(I) hexafluorophosphate","","- C12 H18 Cu F6 P S6 -","- C12 H18 Cu F6 P S6 -","- C48 H72 Cu4 F24 P4 S24 -","4","0.25","CF1226","Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Maekawa, Masahiko; Morimoto, Hiroshi","A Linear-Chain Copper(I) Coordination Polymer with Hexakis(methylthio)benzene","Acta Crystallographica Section C","1998","54","11","1566","1569","10.1107/S010827019800643X","","","0.7107","MoKα","","","0.031","","","0.04","","","","","1.31","1.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008288","11.078","0.001","11.078","0.001","16.231","0.001","90","","90","","90","","1991.9","0.3","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C8 H24 Ca Cu O14 -","- C8 H24 Ca Cu O14 -","- C32 H96 Ca4 Cu4 O56 -","4","0.25","QA0093","El-Bali, Brahim; Bolte, Michael","Redetermination of [CaCu(C~2~H~3~O~2~)~4~(H~2~ O)~2~]^.^6H~2~O at 173 K","Acta Crystallographica Section C","1999","55","3","IUC9900015","","10.1107/S0108270199099771","","","0.71073","MoKα","","0.025","0.02","","","","0.056","","","","","","1.073","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008329","10.2357","0.0014","10.2357","0.0014","3.5425","0.0007","90","","90","","90","","371.15","0.1","293","2","293","2","","","","","","","","2","I 4/m","-I 4","87","","","","- Sb4 Ta5 -","- Sb4 Ta5 -","- Sb8 Ta10 -","2","0.125","BR1226","Kang, Sung Kwon; Miller, Gordon J.","Ta~5~Sb~4~","Acta Crystallographica Section C","1999","55","4","483","485","10.1107/S0108270198015881","","","0.71073","MoKα","","0.071","0.029","","","","0.065","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010924","16.241","0.002","16.241","0.002","15.21","0.003","90","","90","","90","","4011.9","1.1","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C25 H29 Cl5 I6 N4 Si -","- C25 H29 Cl5 I6 N4 Si -","- C100 H116 Cl20 I24 N16 Si4 -","4","0.25","LN1099","Hensen, Karl; Mayr-Stein, Ralf; Rühl, Stephan; Bolte, Michael","<i>trans</i>-Dichlorotetrakis(4-methylpyridine)silicon bis(triiodide) chloroform solvate","Acta Crystallographica Section C","2000","56","5","614","615","10.1107/S0108270100002791","","","0.71073","MoKα","","0.0549","0.0412","","","","0.0962","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013344","14.7427","0.0004","14.7427","0.0004","22.0412","0.0006","90","","90","","90","","4790.6","0.2","296.2","","","","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H36 Au F20 N S4 -","- C40 H36 Au F20 N S4 -","- C160 H144 Au4 F80 N4 S16 -","4","0.25","OB1105","Seiji Watase; Takayuki Kitamura; Nobuko Kanehisa; Masami Nakamoto; Yasushi Kai; Shozo Yanagida","Tetra-<i>n</i>-butylammonium tetrakis(pentafluorobenzenethiolato-κ<i>S</i>)aurate(III)","Acta Crystallographica Section C","2003","59","5","m162","m164","10.1107/S0108270103005961","","","0.7107","MoKα","","","0.0365","","","","0.0434","","","","","","1.048","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013389","22.633","0.003","22.633","0.003","4.0252","0.0008","90","","90","","90","","2061.9","0.6","293","","","","","","","","","","","4","I 4/m","-I 4","87","Lanthanum titanium oxysulfide","hexadecalanthanum pentatitanium heptadecasulfide heptadecaoxide","","- La16 O17 S17.75 Ti5 -","- La16 O17 S17.75 Ti5 -","- La32 O34 S35.5 Ti10 -","2","0.125","BC1010","Meignen, Vincent; Lafond, Alain; Cario, Laurent; Deudon, Catherine; Meerschaut, Alain","A new lanthanum titanium oxysulfide, La~16~Ti~5~S~17+<i>x~</i>O~17~, with <i>x</i>=0.75(9)","Acta Crystallographica Section C","2003","59","7","i63","i64","10.1107/S0108270103010552","","","0.71069","MoKα","","0.0298","0.0234","","","0.0314","0.0323","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013703","6.307","0.001","6.307","0.001","13.615","0.003","90","","90","","90","","541.58","0.17","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","Tetraaquacobalt(II) bis[vanadyl(IV) phosphate]","","- Co H8 O14 P2 V2 -","- Co H8 O14 P2 V2 -","- Co2 H16 O28 P4 V4 -","2","0.125","TA1416","Bi-Zhou Lin; Xiao-Ke Pei; Pei-De Liu","Tetraaquacobalt(II) bis[vanadyl(IV) phosphate], [Co(H~2~O)~4~][VO(PO~4~)]~2~","Acta Crystallographica Section C","2003","59","10","i97","i99","10.1107/S0108270103017219","","","0.71069","MoKα","","0.0325","0.0309","","","0.0856","0.0867","","","","","","1.015","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015211","17.5504","0.0003","17.5504","0.0003","6.8504","0.0002","90","","90","","90","","2110.04","0.08","293","","293","","","","","","","","","5","I 4/m","-I 4","87","octakis(nitroso-acetato-palladium(II))","octakis(μ-acetato-κ^2^O:O)octakis(μ-nitroso-κ^2^N:O)octapalladium(II)","","- C16 H24 N8 O24 Pd8 -","- C16 H24 N8 O24 Pd8 -","- C32 H48 N16 O48 Pd16 -","2","0.125","SQ1216","Kirik, Sergei D.; Mulagaleev, Ruslan F.; Blokhin, Alexander I.","[Pd~8~(CH~3~COO)~8~(NO)~8~]: solution from X-ray powder diffraction data","Acta Crystallographica Section C","2005","61","10","m445","m447","10.1107/S0108270105027095","","","1.5418","CuKα","","","","","","","","","","1.39","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2017265","6.257","0.0005","6.257","0.0005","13.4","0.002","90","","90","","90","","524.61","0.1","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","vanadophosphate dihydrate","poly[diaqua-μ-oxido-μ-phosphato-hemiocobalt(II)vanadium(II)]","","- Co0.5 H4 O7 P V -","- Co0.5 H4 O7 P V -","- Co2 H16 O28 P4 V4 -","4","0.25","SQ3194","Meng, Lianxia; Ma, Yuping; Zhang, Xiaoliang; Xu, Yan","Co~0.50~VOPO~4~·2H~2~O","Acta Crystallographica Section C","2009","65","8","i45","i47","10.1107/S010827010902397X","","","0.71073","MoKα","","0.0172","0.0172","","","0.0399","0.0399","","","","","","1.202","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2020350","12.861","","12.861","","5.284","","90","","90","","90","","874.002","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Mo8 Ga40.88 S.86","","- Ga40.88 Mo8 S0.86 -","- Ga40.884 Mo8 S0.86 -","- Ga40.884 Mo8 S0.86 -","1","0.0625","","Wolcyrz, M.; Andruszkiewicz, R.; Lukaszewicz, K.","Structure of Mo8 Ga41 S","Acta Crystallographica C (39,1983-)","1989","45","","991","993","","","","","","","","","","","","","","","","","","","","","","has coordinates","172012","2020-10-21","18:00:00",""
"2023189","6.4439","0.0009","6.4439","0.0009","4.226","0.0009","90","","90","","90","","175.48","0.05","100","","100","","","","","","","","","2","I 4/m","-I 4","87","Bismuth pentafluoride","Bismuth pentafluoride","","- Bi F5 -","- Bi F5 -","- Bi2 F10 -","2","0.125","WM5722","Wassermann, Tobias Burghardt; Kraus, Florian","Rerefinement of the crystal structure of BiF5","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024005759","","","0.71073","MoKα","","0.0163","0.0163","","","0.0419","0.0419","","","","","","1.12","","","","has coordinates","293348","2024-07-10","01:50:33",""
"2100332","18.0971","0.0016","18.0971","0.0016","2.9916","0.0019","90","","90","","90","","979.8","0.6","298","","298","","","","","","","","","5","I 4/m","-I 4","87","","","","- Al0.21 Ga1.93 K0.152 O7 Ti1.86 -","- Al0.21 Ga1.93 K0.1515 O7 Ti1.86 -","- Al1.68 Ga15.44 K1.212 O56 Ti14.88 -","8","0.5","LC5028","Michiue, Yuichi; Yoshikado, Shinzo","X-ray diffraction study for one-dimensional ionic conductors K~<i>x~</i>(Ga~1{-~<i>y</i>}Al~y~)~2+<i>x~</i>Ti~2{-~<i>x</i>}O~7~ (<i>x</i> ≃0.14, <i>y</i> ≃0.10, 0.23, 0.39)","Acta Crystallographica Section B","2005","61","6","608","615","10.1107/S0108768105031034","","","0.71069","MoKα","","0.0434","0.0308","","","0.0486","0.0506","","","","","","1.1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100333","18.0606","0.0011","18.0606","0.0011","2.9839","0.0013","90","","90","","90","","973.3","0.4","298","","","","","","","","","","","5","I 4/m","-I 4","87","","","","- Al0.49 Ga1.65 K0.155 O7 Ti1.86 -","- Al0.4896 Ga1.6504 K0.155 O7 Ti1.86 -","- Al3.9168 Ga13.2032 K1.24 O56 Ti14.88 -","8","0.5","LC5028","Michiue, Yuichi; Yoshikado, Shinzo","X-ray diffraction study for one-dimensional ionic conductors K~<i>x~</i>(Ga~1{-~<i>y</i>}Al~y~)~2+<i>x~</i>Ti~2{-~<i>x</i>}O~7~ (<i>x</i> ≃0.14, <i>y</i> ≃0.10, 0.23, 0.39)","Acta Crystallographica Section B","2005","61","6","608","615","10.1107/S0108768105031034","","","0.71069","MoKα","","0.0436","0.0324","","","0.0531","0.0548","","","","","","1.17","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100334","18.0088","0.0012","18.0088","0.0012","2.9759","0.0014","90","","90","","90","","965.1","0.5","298","","298","","","","","","","","","5","I 4/m","-I 4","87","","","","- Al0.84 Ga1.3 K0.157 O7 Ti1.86 -","- Al0.836 Ga1.2969 K0.157 O7 Ti1.857 -","- Al6.688 Ga10.3752 K1.256 O56 Ti14.856 -","8","0.5","LC5028","Michiue, Yuichi; Yoshikado, Shinzo","X-ray diffraction study for one-dimensional ionic conductors K~<i>x~</i>(Ga~1{-~<i>y</i>}Al~y~)~2+<i>x~</i>Ti~2{-~<i>x</i>}O~7~ (<i>x</i> ≃0.14, <i>y</i> ≃0.10, 0.23, 0.39)","Acta Crystallographica Section B","2005","61","6","608","615","10.1107/S0108768105031034","","","0.71069","MoKα","","0.0857","0.0434","","","0.0665","0.0715","","","","","","0.99","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100515","5.57516","0.00018","5.57516","","7.8808","0.0005","90","","90","","90","","244.954","0.017","298","","298","","","","","","","","","4","I 4/m","-I 4","87","","","","- Cr O6 Sr2 Ta -","- Cr1.01 O6 Sr2 Ta1.01 -","- Cr2.02 O12 Sr4 Ta2.02 -","2","0.125","WS5031","Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.","Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry","Acta Crystallographica Section B","2006","62","3","384","396","10.1107/S0108768106002448","","neutron","1.8857","neutron","","","","","","","","","","1.61","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100516","5.57539","0.00011","5.57539","","7.8949","0.0002","90","","90","","90","","245.413","0.008","298","","298","","","","","","","","","4","I 4/m","-I 4","87","","","","- Ga O6 Sr2 Ta -","- Ga O6 Sr2 Ta -","- Ga2 O12 Sr4 Ta2 -","2","0.125","WS5031","Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.","Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry","Acta Crystallographica Section B","2006","62","3","384","396","10.1107/S0108768106002448","","neutron","1.5403","neutron","","","","","","","","","","1.18","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101045","10.1776","0.0005","10.1776","0.0005","2.9614","0.0002","90","","90","","90","","306.75","0.03","","","","","","","","","","","","3","I 4/m","-I 4","","","","","- K O16 Ti8 -","- K2 O16 Ti8 -","- K2 O16 Ti8 -","1","0.0625","OH1010","Sasaki, T.; Watanabe, M.; Fujiki, Y.","Structure of K~1.0~Ti~8~O~16~ and K~0.0~Ti~8~O~16~","Acta Crystallographica Section B","1993","49","5","838","841","10.1107/S0108768193004677","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101046","10.164","0.002","10.164","0.002","2.9631","0.0007","90","","90","","90","","306.11","0.11","","","","","","","","","","","","3","I 4/m","-I 4","","","","","- K0 O16 Ti8 -","- K2 O16 Ti8 -","- K2 O16 Ti8 -","1","0.0625","OH1010","Sasaki, T.; Watanabe, M.; Fujiki, Y.","Structure of K~1.0~Ti~8~O~16~ and K~0.0~Ti~8~O~16~","Acta Crystallographica Section B","1993","49","5","838","841","10.1107/S0108768193004677","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102863","10.1541","0.0011","10.1541","0.0011","2.9735","0.0014","90","","90","","90","","306.58","0.15","298","","298","","","","","","","","","4","I 4/m","-I 4","87","","","","- K1.56 Mg0.78 O16 Ti7.22 -","- K1.556 Mg0.776 O16 Ti7.2232 -","- K1.556 Mg0.776 O16 Ti7.2232 -","1","0.0625","AV5085","Michiue, Yuichi","Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)","Acta Crystallographica, Section B","2007","63","4","577","583","10.1107/S0108768107023531","","","0.71069","MoKα","","0.0203","0.0186","","","0.0442","0.0446","","","","","","2.03","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102864","10.1541","0.0011","10.1541","0.0011","2.9735","0.0014","90","","90","","90","","306.58","0.15","298","","298","","","","","","","","","4","I 4/m","-I 4","87","","","","- K1.55 Mg0.77 O16 Ti7.23 -","- K1.548 Mg0.7688 O16 Ti7.2312 -","- K1.548 Mg0.7688 O16 Ti7.2312 -","1","0.0625","AV5085","Michiue, Yuichi","Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)","Acta Crystallographica, Section B","2007","63","4","577","583","10.1107/S0108768107023531","","","0.71069","MoKα","","0.0192","0.0174","","","0.0418","0.0423","","","","","","1.92","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102865","10.1541","0.0011","10.1541","0.0011","2.9735","0.0014","90","","90","","90","","306.58","0.15","298","","298","","","","","","","","","4","I 4/m","-I 4","87","","","","- K1.53 Mg0.77 O16 Ti7.23 -","- K1.53 Mg0.7656 O16 Ti7.2344 -","- K1.53 Mg0.7656 O16 Ti7.2344 -","1","0.0625","AV5085","Michiue, Yuichi","Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)","Acta Crystallographica, Section B","2007","63","4","577","583","10.1107/S0108768107023531","","","0.71069","MoKα","","0.0206","0.0189","","","0.0448","0.0452","","","","","","2.05","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102866","10.1541","0.0011","10.1541","0.0011","2.9735","0.0014","90","","90","","90","","306.58","0.15","298","","298","","","","","","","","","4","I 4/m","-I 4","87","","","","- K1.54 Mg0.77 O16 Ti7.23 -","- K1.54 Mg0.7696 O16 Ti7.2304 -","- K1.54 Mg0.7696 O16 Ti7.2304 -","1","0.0625","AV5085","Michiue, Yuichi","Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)","Acta Crystallographica, Section B","2007","63","4","577","583","10.1107/S0108768107023531","","","0.71069","MoKα","","0.0192","0.0175","","","0.0419","0.0424","","","","","","1.93","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102867","10.2052","0.0007","10.2052","0.0007","2.9717","0.0006","90","","90","","90","","309.49","0.07","298","","298","","","","","","","","","4","I 4/m","-I 4","87","","","","- Mg0.75 O16 Rb1.51 Ti7.25 -","- Mg0.7544 O16 Rb1.508 Ti7.2456 -","- Mg0.7544 O16 Rb1.508 Ti7.2456 -","1","0.0625","AV5085","Michiue, Yuichi","Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)","Acta Crystallographica, Section B","2007","63","4","577","583","10.1107/S0108768107023531","","","0.71069","MoKα","","0.0605","0.022","","","0.0418","0.0505","","","","","","1.18","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102868","10.2052","0.0007","10.2052","0.0007","2.9717","0.0006","90","","90","","90","","309.49","0.07","298","","298","","","","","","","","","4","I 4/m","-I 4","87","","","","- Mg0.75 O16 Rb1.51 Ti7.25 -","- Mg0.7544 O16 Rb1.508 Ti7.2456 -","- Mg0.7544 O16 Rb1.508 Ti7.2456 -","1","0.0625","AV5085","Michiue, Yuichi","Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)","Acta Crystallographica, Section B","2007","63","4","577","583","10.1107/S0108768107023531","","","0.71069","MoKα","","0.0605","0.0219","","","0.0417","0.0504","","","","","","1.19","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102869","10.2052","0.0007","10.2052","0.0007","2.9717","0.0006","90","","90","","90","","309.49","0.07","298","","298","","","","","","","","","4","I 4/m","-I 4","87","","","","- Mg0.75 O16 Rb1.5 Ti7.25 -","- Mg0.7504 O16 Rb1.502 Ti7.2496 -","- Mg0.7504 O16 Rb1.502 Ti7.2496 -","1","0.0625","AV5085","Michiue, Yuichi","Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)","Acta Crystallographica, Section B","2007","63","4","577","583","10.1107/S0108768107023531","","","0.71069","MoKα","","0.0607","0.0223","","","0.0424","0.051","","","","","","1.2","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102870","10.2052","0.0007","10.2052","0.0007","2.9717","0.0006","90","","90","","90","","309.49","0.07","298","","298","","","","","","","","","4","I 4/m","-I 4","87","","","","- Mg0.75 O16 Rb1.5 Ti7.25 -","- Mg0.7512 O16 Rb1.502 Ti7.2488 -","- Mg0.7512 O16 Rb1.502 Ti7.2488 -","1","0.0625","AV5085","Michiue, Yuichi","Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)","Acta Crystallographica, Section B","2007","63","4","577","583","10.1107/S0108768107023531","","","0.71069","MoKα","","0.0607","0.0221","","","0.0421","0.0508","","","","","","1.19","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102871","10.2052","0.0007","10.2052","0.0007","2.9717","0.0006","90","","90","","90","","309.49","0.07","298","","298","","","","","","","","","4","I 4/m","-I 4","87","","","","- Mg0.76 O16 Rb1.51 Ti7.24 -","- Mg0.7568 O16 Rb1.512 Ti7.2432 -","- Mg0.7568 O16 Rb1.512 Ti7.2432 -","1","0.0625","AV5085","Michiue, Yuichi","Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)","Acta Crystallographica, Section B","2007","63","4","577","583","10.1107/S0108768107023531","","","0.71069","MoKα","","0.0603","0.0219","","","0.0416","0.0503","","","","","","1.18","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2105365","6.6696","","6.6696","","4.1581","","90","","90","","90","","184.967","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Ag4 Lu -","- Ag4 Lu -","- Ag8 Lu2 -","2","0.125","","McMasters, O.D.; Gschneidner, K.A.jr.; Venteicher, R.F.","Crystallography of the silver-rich rare earth-silver intermetallic compounds","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1224","1229","10.1107/S0567740870003928","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105374","6.574","","6.574","","4.0686","","90","","90","","90","","175.835","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Ag4 Sc -","- Ag4 Sc -","- Ag8 Sc2 -","2","0.125","","Venteicher, R.F.; Gschneidner, K.A.jr.; McMasters, O.D.","Crystallography of the silver-rich rare earth-silver intermetallic compounds","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1224","1229","10.1107/S0567740870003928","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105393","6.398","","6.398","","4.046","","90","","90","","90","","165.621","","","","","","","","","","","","","2","I 4/m","-I 4","87","","(Au3.96 Cr0.04) Cr","","- Au3.96 Cr1.04 -","- Au3.96 Cr1.04 -","- Au7.92 Cr2.08 -","2","0.125","","Watanabe, Y.; Iwasaki, H.","Lattice modulation in the Mo Ni4-type structure of Au4 Cr","Acta Crystallographica B (39,1983-)","1984","40","","373","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106590","10.039","","10.039","","2.943","","90","","90","","90","","296.6","","","","","","","","","","","","","7","I 4/m","-I 4","87","","Ba0.98 Ca0.03 Zr0.02 (Al1.10 Ni0.48 Ti6.4) O16","","- Al1.1 Ba0.98 Ca0.03 Ni0.48 O16 Ti6.4 Zr0.02 -","- Al1.104 Ba0.98 Ca0.032 Ni0.48 O16 Ti6.4 Zr0.02 -","- Al1.104 Ba0.98 Ca0.032 Ni0.48 O16 Ti6.4 Zr0.02 -","1","0.0625","","Sinclair, W.; McLaughlin, G.M.; Ringwood, A.E.","The Structure and Chemistry of a Barium Titanate Hollandite-Type Phase","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2913","2918","","","","","","","","","","","","","","","","","","","","","","has coordinates","151661","2020-10-21","18:00:00",""
"2107632","20.275","0.0008","20.275","0.0008","5.0989","0.0002","90","","90","","90","","2096.03","0.14","296.2","0.2","296.2","0.2","","","","","","","","4","I 4/m","-I 4","87","","","","- C21 H27 Cl N2 -","- C21 H26 Cl N2 -","- C84 H104 Cl4 N8 -","4","0.25","","Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof","An insight into real and average structure from diffuse X-ray scattering ‒ a case study","Acta Crystallographica Section B","2016","72","4","571","583","10.1107/S2052520616005552","","x-ray","0.71073","MoKα","","0.0514","0.0411","","","0.1239","0.1561","","","","","","1.155","","","","has coordinates,has disorder,has Fobs","185007","2020-10-21","18:00:00",""
"2107633","20.275","0.0008","20.275","0.0008","5.0989","0.0002","90","","90","","90","","2096.03","0.14","296.2","0.2","296.2","0.2","","","","","","","","4","I 4/m","-I 4","87","","","","- C21 H27 Cl N2 -","- C21 H27 Cl N2 -","- C84 H108 Cl4 N8 -","4","0.25","","Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof","An insight into real and average structure from diffuse X-ray scattering ‒ a case study","Acta Crystallographica Section B","2016","72","4","571","583","10.1107/S2052520616005552","","x-ray","0.71073","MoKα","","0.0496","0.0395","","","0.1208","0.1535","","","","","","1.166","","","","has coordinates,has disorder,has Fobs","185007","2020-10-21","18:00:00",""
"2107634","19.924","0.01","19.924","0.01","5.088","0.003","90","","90","","90","","2019.8","1.9","100","0.2","100","0.2","","","","","","","","4","I 4/m","-I 4","87","","","","- C21 H27 Cl N2 -","- C21 H27 Cl N2 -","- C84 H108 Cl4 N8 -","4","0.25","","Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof","An insight into real and average structure from diffuse X-ray scattering ‒ a case study","Acta Crystallographica Section B","2016","72","4","571","583","10.1107/S2052520616005552","","x-ray","0.71073","MoKα","","0.048","0.04","","","0.1131","0.1318","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","185007","2020-10-21","18:00:00",""
"2107635","19.924","0.01","19.924","0.01","5.088","0.003","90","","90","","90","","2019.8","1.9","100","0.2","100","0.2","","","","","","","","4","I 4/m","-I 4","87","","","","- C21 H27 Cl N2 -","- C21 H27 Cl N2 -","- C84 H108 Cl4 N8 -","4","0.25","","Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof","An insight into real and average structure from diffuse X-ray scattering ‒ a case study","Acta Crystallographica Section B","2016","72","4","571","583","10.1107/S2052520616005552","","x-ray","0.71073","MoKα","","0.0454","0.0378","","","0.1084","0.1276","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","185007","2020-10-21","18:00:00",""
"2108654","13.6088","0.0004","13.6088","0.0004","8.6764","0.0003","90","","90","","90","","1606.86","0.09","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- F30 Ga5 K15 -","- F30 Ga5 K15 -","- F60 Ga10 K30 -","2","0.125","","King, Graham","New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009695","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","255583","2020-10-21","18:00:00",""
"2210809","8.957","0.002","8.957","0.002","3.6939","0.0014","90","","90","","90","","296.35","0.15","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","Rubidium sodiotricadmate","","- Cd3 Na O4 Rb -","- Cd3 Na O4 Rb -","- Cd6 Na2 O8 Rb2 -","2","0.125","WM2046","Kerp, Oliver; Möller, Angela","Rubidium sodotricadmate, Rb[NaCd~3~O~4~]","Acta Crystallographica Section E","2006","62","10","i204","i206","10.1107/S1600536806034489","","","0.71073","MoKα","","0.043","0.0406","","","0.0976","0.0983","","","","","","1.206","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212911","13.3747","0.0019","13.3747","0.0019","9.7348","0.0019","90","","90","","90","","1741.4","0.5","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","(5,10,15,20-tetraphenylporphyrinato)copper(II)","","- C44 H28 Cu N4 -","- C44 H28 Cu N4 -","- C88 H56 Cu2 N8 -","2","0.125","HG2183","He, Hong-Shan","A second polymorph of (5,10,15,20-tetraphenylporphyrinato)copper(II)","Acta Crystallographica Section E","2007","63","4","m976","m977","10.1107/S1600536807008574","","","0.71073","MoKα","","0.0653","0.0353","","","0.0886","0.1035","","","","","","1.095","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2222910","19.938","0.002","19.938","0.002","7.0367","0.0009","90","","90","","90","","2797.3","0.5","299","2","299","2","","","","","","","","4","I 4/m","-I 4","87","","Ethyl 3-[(3,5-dimethylphenyl)aminocarbonyl]propanoate","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C112 H152 N8 O24 -","8","0.5","TK2515","Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Fuess, Hartmut","Ethyl 3-[(3,5-dimethylphenyl)aminocarbonyl]propanoate","Acta Crystallographica Section E","2009","65","8","o2039","","10.1107/S1600536809029511","","","1.5418","CuKα","","0.063","0.058","","","0.163","0.169","","","","","","1.11","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230980","11.909","0.003","11.909","0.003","22.888","0.005","90","","90","","90","","3246.1","1.4","150","2","150","2","","","","","","","","3","I 4/m","-I 4","87","","undecabarium tetralanthanum tetratricontabromide","","- Ba11 Br34 La4 -","- Ba11 Br34 La4 -","- Ba22 Br68 La8 -","2","0.125","RU2009","Eagleman, Yetta; Wu, Guang; Gundiah, Gautam; Bourret-Courchesne, Edith; Derenzo, Stephen","Ba~11~La~4~Br~34~: a new barium lanthanum bromide","Acta Crystallographica, Section E","2011","67","10","i53","i54","10.1107/S1600536811037354","","","0.71073","MoKα","","0.0719","0.0494","","","0.1111","0.1178","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239348","15.7726","0.0009","15.7726","0.0009","3.8399","0.0006","90","","90","","90","","955.27","0.17","298","2","298","2","","","","","","","","3","I 4/m","-I 4","87","","Nonaniobium vanadium pentacosaoxide","","- Nb9 O25 V -","- Nb9 O25 V -","- Nb18 O50 V2 -","2","0.125","VN2081","Nasri, Rawia; Chérif, Saïda Fatma; Zid, Mohamed Faouzi; Driss, Ahmed","β-Nb9VO25","Acta Crystallographica Section E Structure Reports Online","2014","70","5","i20","","10.1107/S1600536814007831","","","0.71073","MoKα","","0.0826","0.0344","","","0.0709","0.0856","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240460","14.8313","0.001","14.8313","","9.3966","0.0008","90","","90","","90","","2066.9","0.2","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","Diaqua[5,10,15,20-tetrakis(4‒bromophenyl)porphyrinato-κ^4^<i>N</i>]magnesium","","- C44 H28 Br4 Mg N4 O2 -","- C44 H28 Br4 Mg N4 O2 -","- C88 H56 Br8 Mg2 N8 O4 -","2","0.125","","Amiri, Nesrine; Nasri, Soumaya; Roisnel, Thierry; Simonneaux, Gérard; Nasri, Habib","Crystal structure of diaqua[5,10,15,20-tetrakis(4-bromophenyl)porphyrinato-κ^4^<i>N</i>]magnesium","Acta Crystallographica Section E","2015","71","3","m73","m74","10.1107/S2056989015003722","","","0.71073","MoKα","","0.0504","0.0309","","","0.0676","0.0732","","","","","","1.058","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2244183","17.305","0.002","17.305","0.002","26.04","0.005","90","","90","","90","","7798","2","100","0.1","100","0.1","","","","","","","","5","I 4/m","-I 4","87","Clozapine <i>N</i>-oxide hemi(hydrochloride)","8-Chloro-11-(4-methyl-1-piperazinyl)-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>][1,4]diazepine <i>N</i>-oxide hemi(hydrochloride)","","- C36 H39 Cl3 N8 O2 -","- C36 H39 Cl3 N8 O2 -","- C288 H312 Cl24 N64 O16 -","8","0.5","HB8039","van der Peet, Phillip L.; Joyce, Rohan D.; Ott, Holger; Marcuccio, Sebastian M.; White, Jonathan M.; Williams, Spencer J.","Synthesis and structure of clozapine <i>N</i>-oxide hemi(hydrochloride): an infinite hydrogen-bonded poly[<i>n</i>]catenane","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009306","","","0.710757","Synchrotron","","0.0567","0.0491","","","0.1333","0.1384","","","","","","1.032","","","","has coordinates,has Fobs","278238","2022-09-28","01:58:08",""
"2310297","14.78","","14.78","","10.43","","90","","90","","90","","2278.42","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Ce5 Mg41 -","- Ce5 Mg41 -","- Ce10 Mg82 -","2","0.125","","Johnson, Q.; Smith, G.S.","The crystal structure of Ce5 Mg42","Acta Crystallographica (1,1948-23,1967)","1967","22","","360","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310382","13.814","","13.814","","5.759","","90","","90","","90","","1098.97","","","","","","","","","","","","","6","I 4/m","-I 4","87","","Na4 (Cu (N H3)4) (Cu (S2 O3)2)2","","- Cu3 H12 N4 Na4 O12 S8 -","- Cu3 N4 Na4 O12 S8 -","- Cu6 N8 Na8 O24 S16 -","2","0.125","","Ferrari, A.; Braibanti, A.; Tiripicchio, A.","The crystal structure of tetrasodium tetramminecopper(II) di-catena-di-mue-thiosulphato-cuprate(I)","Acta Crystallographica (1,1948-23,1967)","1966","21","","605","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310397","10.164","","10.164","","3.772","","90","","90","","90","","389.674","","","","","","","","","","","","","2","I 4/m","-I 4","87","","Ti5 Te4","","- Te4 Ti5 -","- Te4 Ti5 -","- Te8 Ti10 -","2","0.125","","Gronvold, F.; Kjekshus, A.; Raaum, F.","The crystal structure of Ti5 Te4","Acta Crystallographica (1,1948-23,1967)","1961","14","","930","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","149046","2020-10-21","18:00:00",""
"2310472","9.38","","9.38","","2.74","","90","","90","","90","","241.077","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K Al Si3 O8","","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al2 K2 O16 Si6 -","2","0.125","","Ringwood, A.E.; Reid, A.F.; Wadsley, A.D.","High pressure Al Si3 O8, an aluminosilicate with sixfold coordination","Acta Crystallographica (1,1948-23,1967)","1967","23","","1093","1095","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310960","3.461","","3.461","","4.395","","90","","90","","90","","52.646","","","","","","","","","","","","","2","I 4/m","-I 4","87","","Hf H1.98","","- H1.98 Hf -","- H1.98 Hf -","- H3.96 Hf2 -","2","0.125","","Sidhu, S.S.","The Effect on Metal-Metal Bonds of Increased Concentration of Hydrogen in Hafnium Dihydride","Acta Crystallographica (1,1948-23,1967)","1954","7","","447","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310961","3.478","","3.478","","4.361","","90","","90","","90","","52.753","","","","","","","","","","","","","2","I 4/m","-I 4","87","","Hf H2","","- H2 Hf -","- H2 Hf -","- H4 Hf2 -","2","0.125","","Sidhu, S.S.","The Effect on Metal-Metal Bonds of Increased Concentration of Hydrogen in Hafnium Dihydride","Acta Crystallographica (1,1948-23,1967)","1954","7","","447","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310998","12.3","","12.3","","7.34","","90","","90","","90","","1110.47","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ca (C O2)2 (H2 O)2.2","","- C2 H4.4 Ca O6.2 -","- C2 Ca O6.2 -","- C16 Ca8 O49.6 -","8","0.5","","Sterling, C.","Crystal structure analysis of weddellite, Ca C2 O4 * (2+x)H2 O","Acta Crystallographica (1,1948-23,1967)","1965","18","","917","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311065","9.8","","9.8","","2.86","","90","","90","","90","","274.674","","","","","","","","","","","","","10","I 4/m","-I 4","87","","Mn6.952 Fe0.64 Al0.264 Si0.016 Ba0.47 K0.328 Pb0.112 Na0.11 (O H)1.414 O14.586","","- Al0.264 Ba0.47 Fe0.64 H1.414 K0.328 Mn6.952 Na0.11 O16 Pb0.112 Si0.016 -","- Al0.264 Ba0.47 Fe0.64 K0.328 Mn6.952 Na0.11 O16 Pb0.112 Si0.016 -","- Al0.264 Ba0.47 Fe0.64 K0.328 Mn6.952 Na0.11 O16 Pb0.112 Si0.016 -","1","0.0625","","Bystroem, A.; Bystroem, A.M.","The crystal structure of hollandite, the related manganese oxide minerals, and alpha-Mn O2","Acta Crystallographica (1,1948-23,1967)","1950","3","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2312395","17.1883","0.0013","17.1883","0.0013","9.1123","0.0009","90","","90","","90","","2692.1","0.4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","[5,10,15,20-Tetrakis(4-fluoro-2,6-dimethylphenyl)porphyrinato]platinum(II)","","- C52 H40 F4 N4 Pt -","- C52 H40 F4 N4 Pt -","- C104 H80 F8 N8 Pt2 -","2","0.125","YD3039","Dash, Zane S.; Huang, Raymond Q.; Kimber, Ana N.; Olubajo, Opeyemi T.; Polk, Mark; Rancu, Oliver P.; Zhang, Lauren L.; Fu, Jane; Nagelj, Nejc; Reynolds, Kristopher G.; Zheng, Shao Liang; Dogutan, Dilek K.","Oxygen quenching of structurally characterized [5,10,15,20-tetrakis(4-fluoro-2,6-dimethylphenyl)porphyrinato]platinum(II).","Acta crystallographica. Section C, Structural chemistry","2024","80","3","","","10.1107/S2053229624001621","","","0.71073","MoKα","","0.0336","0.033","","","0.0715","0.0723","","","","","","1.047","","","","has coordinates,has Fobs","289963","2024-02-27","02:59:30",""
"2312554","23.8054","0.0012","23.8054","0.0012","7.3222","0.0004","90","","90","","90","","4149.5","0.4","150","","150","","","","","","","","","5","I 4/m","-I 4","87","","Bis[4-cyano-<i>N</i>-(4-cyanobenzyl)pyridinium] antimony(III) pentabromide","","- C28 H20 Br5 N6 Sb -","- C28 H20 Br4.975 N6 Sb -","- C112 H80 Br19.9 N24 Sb4 -","4","0.25","JX3084","Qin, Qiaoqi; Liu, Jiamin; Luan, Xinyu; Xu, Jianqiao; Jiang, Long","Crystal structure and Hirshfeld surface analysis of two iHOFs based on CH...NC hydrogen bonding.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624005850","","","1.34138","GaKα","","0.0745","0.073","","","0.2187","0.2203","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","293406","2024-07-13","01:57:42",""
"3500061","14.4782","0.0007","14.4782","0.0007","7.321","0.0004","90","","90","","90","","1534.62","0.13","295","","295","","","","","","","","Solid state synthesis","3","I 4/m","-I 4","87","","","","- F5 Ga Pb -","- F5 Ga Pb -","- F80 Ga16 Pb16 -","16","1","","Armel Le Bail","Rietveld refinement of the crystal structure of PbGaF5 in the BaTiF5 structure type, I4/m","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","4.1293","","","","","","","","has coordinates","189271","2020-10-21","18:00:00",""
"4000724","12.3853","0.0001","12.3853","0.0001","3.82","0.00004","90","","90","","90","","585.971","0.009","293","","293","","","","","","","","","3","I 4/m","-I 4","87","PX phase of lead titanate","","","- O3 Pb Ti -","- O3 Pb Ti -","- O24 Pb8 Ti8 -","8","0.5","","Wang, Jin; Schenk, Kurt; Carvalho, Alexandra; Eerd, Ben Wylie-van; Trodahl, Joe; Sandu, Cosmin S.; Bonin, Michel; Gregora, Ivan; He, Zhanbing; Yamada, Tomoaki; Funakubo, Hiroshi; Briddon, Patrick R.; Setter, Nava","Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate","Chemistry of Materials","2011","23","10","2529","","10.1021/cm1030206","powder diffraction","","0.498358","synchrotron","","0.0188","0.0188","","","0.0277","0.0277","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001241","9.81605","0.00014","9.81605","","2.85489","0.00005","90","","90","","90","","275.082","0.006","","","","","","","","","","","","4","I 4/m","-I 4","87","","","","- K0.07 Mn0.5 O W0 -","- K0.0663775 Mn0.495965 O W0.004035 -","- K1.06204 Mn7.93544 O16 W0.06456 -","16","1","","Calvert, Craig; Joesten, Raymond; Ngala, Katana; Villegas, Josanlet; Morey, Aimee; Shen, Xiongfei; Suib, Steven L.","Synthesis, Characterization, and Rietveld Refinement of Tungsten-Framework-Doped Porous Manganese Oxide (K-OMS-2) Material","Chemistry of Materials","2008","20","20","6382","","10.1021/cm801146m","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.06145","","2.08","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001242","9.80411","0.00015","9.80411","","2.85201","0.00005","90","","90","","90","","274.137","0.006","","","","","","","","","","","","4","I 4/m","-I 4","87","","","","- K0.064 Mn0.494 O W0.006 -","- K0.0636775 Mn0.493625 O W0.006375 -","- K1.01884 Mn7.898 O16 W0.102 -","16","1","","Calvert, Craig; Joesten, Raymond; Ngala, Katana; Villegas, Josanlet; Morey, Aimee; Shen, Xiongfei; Suib, Steven L.","Synthesis, Characterization, and Rietveld Refinement of Tungsten-Framework-Doped Porous Manganese Oxide (K-OMS-2) Material","Chemistry of Materials","2008","20","20","6382","","10.1021/cm801146m","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.06417","","1.85","","","","","","","has coordinates","292204","2024-06-05","14:01:46",""
"4001892","34.6853","0.0006","34.6853","0.0006","50.6917","0.0013","90","","90","","90","","60986","2","100","2","100.01","","","","","","","","","5","I 4/m","-I 4","87","","","","- C192 H96 Cu12 N40 O60 -","- C192 H96 Cu12 N40 O60 -","- C768 H384 Cu48 N160 O240 -","4","0.25","","Barin, Gokhan; Krungleviciute, Vaiva; Gomez-Gualdron, Diego A.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.","Isoreticular Series of (3,24)-Connected Metal‒Organic Frameworks: Facile Synthesis and High Methane Uptake Properties","Chemistry of Materials","2014","26","5","1912","","10.1021/cm404155s","","","1.54178","CuKα","","0.1075","0.0735","","","0.217","0.2337","","","","","","0.868","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002058","8.0655","0.0011","8.0655","0.0011","3.2857","0.0007","90","","90","","90","","213.74","0.06","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","Calcium nitridomagnesoaluminate","Calcium nitridomagnesoaluminate","","- Al2 Ca Mg2 N4 -","- Al2 Ca Mg2 N4 -","- Al4 Ca2 Mg4 N8 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","","","0.71073","MoKα","","0.0323","0.0311","","","0.0849","0.0864","","","","","","1.199","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002059","8.1008","0.0011","8.1008","0.0011","3.3269","0.0007","90","","90","","90","","218.32","0.06","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","Strontium nitridomagnesioaluminate","Strontium nitridomagnesioaluminate","","- Al2 Mg2 N4 Sr -","- Al2 Mg2 N4 Sr -","- Al4 Mg4 N8 Sr2 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","","","0.71073","MoKα","","0.0313","0.0309","","","0.0834","0.0838","","","","","","1.165","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002060","8.2602","0.0009","8.2602","0.0009","3.432","0.0002","90","","90","","90","","234.17","0.04","297","2","297","2","","","","","","","","4","I 4/m","-I 4","87","Barium Magnesonitridoaluminate","Barium Magnesonitridoaluminate","","- Al2 Ba Mg2 N4 -","- Al2 Ba Mg2 N4 -","- Al4 Ba2 Mg4 N8 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.03365","","1.363","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002061","8.1539","0.0012","8.1539","0.0012","3.343","0.0007","90","","90","","90","","222.26","0.07","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Al2 Eu Mg2 N4 -","- Al2 Eu Mg2 N4 -","- Al4 Eu2 Mg4 N8 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","","","0.71073","MoKα","","0.0152","0.0152","","","0.0333","0.0333","","","","","","1.105","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002062","8.3654","0.0012","8.3654","0.0012","3.4411","0.0007","90","","90","","90","","240.81","0.07","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Ba Ga2 Mg2 N4 -","- Ba Ga2 Mg2 N4 -","- Ba2 Ga4 Mg4 N8 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","","","0.71073","MoKα","","0.0155","0.0146","","","0.0305","0.0309","","","","","","1.101","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002438","13.68","","13.68","","10.49","","90","","90","","90","","1963.12","","","","","","","","","","","","","2","I 4/m","-I 4","87","","Si O2","","- O2 Si -","- O2 Si -","- O64 Si32 -","32","2","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002686","8.176483","0.000076","8.176483","0.000076","3.35754","0.000036","90","","90","","90","","224.468","0.004","300","","300","","","","","","","","","5","I 4/m","-I 4","87","","","","- Al3.94 Ce0.03 Mg4.06 N8 Sr1.97 -","- Al3.936 Ce0.03 Mg4.064 N8 Sr1.97 -","- Al3.936 Ce0.03 Mg4.064 N8 Sr1.97 -","1","0.0625","","Leano, Julius; Lin, Shing-Ying; Mahlik, Sebastian; Grinberg, Marek; Liang, Chaolun; Zhou, Wuzong; Molokeev, Maxim; Atuchin, Victor; Tsai, Yi-Ting; Lin, Cun Che; Sheu, Hwo-Shuenn; Liu, Ru-Shi","Green Light-excitable Ce-doped Nitridomagnesoaluminate Sr[Mg2Al2N4] Phosphor for White Light-emitting Diodes","Chemistry of Materials","2016","28","19","6822","6825","10.1021/acs.chemmater.6b03442","powder diffraction","x-ray","0.68863","synchrotron","","","","","","","","","0.745","0.264","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4003026","6.54","0.006","6.54","0.006","12.214","0.011","90","","90","","90","","522.4","0.8","297","2","297","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Ba Be20 N14 -","- Ba Be20 N14 -","- Ba2 Be40 N28 -","2","0.125","","Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence","Chemistry of Materials","2019","31","9","3174","","10.1021/acs.chemmater.8b05133","","","0.71073","MoKα","","0.0274","0.0271","","","0.058","0.0581","","","","","","1.082","","","","has coordinates","220445","2020-10-21","18:00:00",""
"4003027","6.5241","0.0008","6.5241","0.0008","12.1357","0.0017","90","","90","","90","","516.54","0.12","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Be20 Eu N14 -","- Be20 Eu N14 -","- Be40 Eu2 N28 -","2","0.125","","Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence","Chemistry of Materials","2019","31","9","3174","","10.1021/acs.chemmater.8b05133","","","0.71073","MoKα","","0.0161","0.016","","","0.032","0.032","","","","","","1.122","","","","has coordinates","220446","2020-10-21","18:00:00",""
"4003028","6.525","0.002","6.525","0.002","12.133","0.004","90","","90","","90","","516.6","0.3","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","SrBe20N14","","","- Be20 N14 Sr -","- Be20 N14 Sr -","- Be40 N28 Sr2 -","2","0.125","","Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence","Chemistry of Materials","2019","31","9","3174","","10.1021/acs.chemmater.8b05133","","","0.71073","MoKα","","0.0409","0.0324","","","0.052","0.0542","","","","","","1.126","","","","has coordinates","220447","2020-10-21","18:00:00",""
"4003052","13.3591","0.0019","13.3591","0.0019","42.446","0.005","90","","90","","90","","7575.1","1.8","100","2","100.01","","","","","","","","","5","I 4/m","-I 4","87","","PFC-17","","- C11.75 H11.75 N11.75 O11.75 Zn11.75 -","- C20 H12 N9 O4 Zn2 -","- C160 H96 N72 O32 Zn16 -","8","0.5","","Li, Lan; Yi, Jun-Dong; Fang, Zhi-Bin; Wang, Xu-Sheng; Liu, Nan; Chen, Ya-Nan; Liu, Tian-Fu; Cao, Rong","Creating Giant Secondary Building Layers via Alkali-Etching Exfoliation for Precise Synthesis of Metal‒Organic Frameworks","Chemistry of Materials","2019","31","18","7584","","10.1021/acs.chemmater.9b02375","","","0.71073","MoKα","","0.0898","0.0846","","","0.214","0.217","","","","","","1.08","","","","has coordinates","220471","2020-10-21","18:00:00",""
"4003084","17.188","0.002","17.188","0.002","11.041","0.002","90","","90","","90","","3261.8","0.8","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","Cesium_Indium_Chloride","","","- Cl3 Cs In -","- Cl3 Cs In -","- Cl60 Cs20 In20 -","20","1.25","","McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br)","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04095","","","0.71073","MoKα","","0.1318","0.0977","","","0.3031","0.3318","","","","","","1.197","","","","has coordinates","223366","2020-10-21","18:00:00",""
"4003085","17.8982","0.0006","17.8982","0.0006","11.5351","0.0005","90","","90","","90","","3695.2","0.2","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","Cesium_Indium_Bromide","","","- Br3 Cs In -","- Br3 Cs In -","- Br60 Cs20 In20 -","20","1.25","","McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br)","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04095","","","0.71073","MoKα","","0.1181","0.1001","","","0.2965","0.3163","","","","","","1.089","","","","has coordinates","223367","2020-10-21","18:00:00",""
"4003086","17.0057","0.0003","17.0057","0.0003","11.0266","0.0003","90","","90","","90","","3188.82","0.12","300","2","300","2","","","","","","","","3","I 4/m","-I 4","87","Cesium_Indium_Chloride","","","- Cl3 Cs In -","- Cl3 Cs In -","- Cl60 Cs20 In20 -","20","1.25","","McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br)","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04095","","","0.71073","MoKα","","0.0316","0.0287","","","0.075","0.0768","","","","","","1.145","","","","has coordinates","223368","2020-10-21","18:00:00",""
"4003216","30.4638","0.0003","30.4638","0.0003","44.2772","0.0007","90","","90","","90","","41091.2","0.9","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C33 H24 Cu3 N6 O18 -","- C33 H18 Cu3 N6 O18 -","- C528 H288 Cu48 N96 O288 -","16","1","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.1083","0.0764","","","0.2187","0.258","","","","","","0.974","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003217","30.5919","0.0007","30.5919","0.0007","44.8181","0.0019","90","","90","","90","","41944","2","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C33 H24 N6 O18 Zn3 -","- C33 H18 N6 O18 Zn3 -","- C528 H288 N96 O288 Zn48 -","16","1","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.139","0.0931","","","0.2665","0.3265","","","","","","1.034","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003365","32.5662","0.0017","32.5662","0.0017","46.87","0.002","90","","90","","90","","49708","4","200","2","200","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C276 H180 Cu24 N24 O144 -","- C276 H180 Cu24 N24 O144 -","- C552 H360 Cu48 N48 O288 -","2","0.125","","Barreda, Omar; Taggart, Garrett A.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Mechanochemical Synthesis of Porous Molecular Assemblies","Chemistry of Materials","2018","30","12","3975","","10.1021/acs.chemmater.8b01667","","","1.54178","CuKα","","0.1446","0.1325","","","0.3954","0.4118","","","","","","1.953","","","","has coordinates","231539","2020-10-21","18:00:00",""
"4003374","23.279","0.003","23.279","0.003","30.804","0.006","90","","90","","90","","16693","4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C8 H48 I44 N8 Pb18 -","- C8 H48 I44 N8 Pb18 -","- C16 H96 I88 N16 Pb36 -","2","0.125","","Fateev, Sergey A.; Petrov, Andrey A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Solution Processing of Methylammonium Lead Iodide Perovskite from γ-Butyrolactone: Crystallization Mediated by Solvation Equilibrium","Chemistry of Materials","2018","30","15","5237","","10.1021/acs.chemmater.8b01906","","","0.9699","synchrotron","","0.1693","0.1265","","","0.2954","0.3194","","","","","","1.44","","","","has coordinates","231548","2020-10-21","18:00:00",""
"4003686","23.2865","0.0008","23.2865","0.0008","34.8183","0.0014","90","","90","","90","","18880.6","1.2","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C114 H80 Ce38 O114 -","- C114 H80 Ce38 O114 -","- C228 H160 Ce76 O228 -","2","0.125","","Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K.","Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02740","","","0.71073","MoKα","","0.1589","0.1092","","","0.3307","0.4052","","","","","","1.329","","","","has coordinates","256462","2020-10-21","18:00:00",""
"4024886","20.4461","0.0012","20.4461","0.0012","16.7061","0.0019","90","","90","","90","","6983.9","1","100","2","100","2","","","101","","","","","4","I 4/m","-I 4","87","","","","- C39 H36 N2 O6 -","- C39 H37.6 N2 O6 -","- C312 H300.8 N16 O48 -","8","0.5","","David Franz; Steven J. Robbins; René T. Boeré; Peter W. Dibble","Synthesis and Characterization of 2,7-Di(tert-butyl)pyreno[4,5-c:9,10-c']difuran and Derived Pyrenophanes","Journal of Organic Chemistry","2009","74","","7544","7547","10.1021/jo901482y","","x-ray","0.71073","MoKα","","0.0735","0.0584","","","0.1603","0.1722","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027347","13.46","0.003","13.46","0.003","9.7678","0.0018","90","","90","","90","","1769.6","0.6","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C44 H33 N4 O2.5 -","- C44 H33 N4 O2.5 -","- C88 H66 N8 O5 -","2","0.125","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.0646","0.0531","","","0.153","0.1651","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030190","8.68","0.001","8.68","0.001","16.657","0.002","90","","90","","90","","1255","0.3","","","293","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ca2 F7 Yb -","- Ca1.9948 F7.1996 Yb1.0052 -","- Ca19.948 F71.996 Yb10.052 -","10","0.625","","Bevan, D. J. M.; McCall, Maxime J.; Ness, Sharon E.; Taylor, Max R.","Cuboctahedral anion clusters in fluorite-related superstructures : the structure of Ca2YbF7. Part 2","European Journal of Solid State and Inorganic Chemistry","1988","25","","517","526","","","x-ray","0.71069","MoKα","","","0.039","","","","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030274","9.194","0.002","9.194","0.002","13.396","0.004","90","","90","","90","","1132.4","0.5","","","293","","","","","","","","","6","I 4/m","-I 4","87","","","","- C14 H24 F2 N2 O40 Si20 -","- C6.184 F0.074 O40 Si20 -","- C6.184 F0.074 O40 Si20 -","1","0.0625","","Caullet, P.; Guth, J. L.; Hazm, J.; Lamblin, J. M.; Gies, H.","Synthesis, characterization and crystal structure of the new clathrasil phase octadecasil","European Journal of Solid State and Inorganic Chemistry","1991","28","","345","361","","","x-ray","0.71069","MoKα","","","0.0613","","","0.0394","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030487","8.1837","0.0004","8.1837","0.0004","11.2772","0.0006","90","","90","","90","","755.27","0.07","","","293","","","","","","","","","4","I 4/m","-I 4","87","","","","- Ba F11 Li Zr2 -","- Ba F11 Li Zr2 -","- Ba4 F44 Li4 Zr8 -","4","0.25","","Gao, Y.; Guery, J.; Jacoboni, C.","Crystal structure determination of LiBaZr2F11","European Journal of Solid State and Inorganic Chemistry","1992","29","","1243","1252","","","x-ray","0.71019","MoKα","","","0.022","","","0.026","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030684","14.988","0.003","14.988","0.003","7.371","0.002","90","","90","","90","","1655.8","0.6","","","294","","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H48 N4 O12 V4 -","- C16 H40 N4 O12 V4 -","- C32 H80 N8 O24 V8 -","2","0.125","","Averbuch-Pouchot, M.-T.; Durif, A.","Tert-butylammonium condensed vanadates. II. Tert-butylammonium cyclotetravanadate","European Journal of Solid State and Inorganic Chemistry","1994","31","","567","573","","","x-ray","0.5608","AgKα","","","0.04","","","0.044","","","","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030835","6.366","0.001","6.366","0.001","9.016","0.002","90","","90","","90","","365.38","0.11","","","240","","","","","","","","","4","I 4/m","-I 4","87","","","","- F6 K Rb2 Sc -","- F6 K Rb2 Sc -","- F12 K2 Rb4 Sc2 -","2","0.125","","Faget, H.; Grannec, J.; Tressaud, A.; Rodriguez, V.; Roisnel, T.; Flerov, I. N.; Gorev, M. V.","Neutron powder refinements of the three structural forms of Rb2KScF6","European Journal of Solid State and Inorganic Chemistry","1996","33","","893","905","","powder diffraction","neutron","1.2272","","","","","","","","","","0.047","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4031262","5.5452","","5.5452","","7.9179","","90","","90","","90","","243.469","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Ni Re O6","","- Ni O6 Re Sr2 -","- Ni O6 Re Sr2 -","- Ni2 O12 Re2 Sr4 -","2","0.125","","Retuerto, M.; Fernandez-Diaz, M.T.; Martinez-Lope, M.J.; Garcia-Hernandez, M.; Alonso, J.A.","Crystal and magnetic structure of Sr2 M Re O6 (M = Ni, Co, Zn) double perovskites: a neutron diffraction study","European Journal of Inorganic Chemistry","2008","2008","","588","595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031263","5.5631","","5.5631","","7.9516","","90","","90","","90","","246.087","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Co Re O6","","- Co O6 Re Sr2 -","- Co O6 Re Sr2 -","- Co2 O12 Re2 Sr4 -","2","0.125","","Retuerto, M.; Fernandez-Diaz, M.T.; Garcia-Hernandez, M.; Martinez-Lope, M.J.; Alonso, J.A.","Crystal and magnetic structure of Sr2 M Re O6 (M = Ni, Co, Zn) double perovskites: a neutron diffraction study","European Journal of Inorganic Chemistry","2008","2008","","588","595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031264","5.5785","","5.5785","","8.0053","","90","","90","","90","","249.122","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Zn Re O6","","- O6 Re Sr2 Zn -","- O6 Re Sr2 Zn -","- O12 Re2 Sr4 Zn2 -","2","0.125","","Retuerto, M.; Fernandez-Diaz, M.T.; Garcia-Hernandez, M.; Martinez-Lope, M.J.; Alonso, J.A.","Crystal and magnetic structure of Sr2 M Re O6 (M = Ni, Co, Zn) double perovskites: a neutron diffraction study","European Journal of Inorganic Chemistry","2008","2008","","588","595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031530","5.54939","","5.54939","","7.89554","","90","","90","","90","","243.149","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Ni Mo O6","","- Mo Ni O6 Sr2 -","- Mo Ni O6 Sr2 -","- Mo2 Ni2 O12 Sr4 -","2","0.125","","Martinez-Lope, M.J.; Alonso, J.A.; Casais, M.T.","Synthesis, crystal and magnetic structure of the double perovskites A2 Ni Mo O6 (A = Sr, Ba): a neutron diffraction study","European Journal of Inorganic Chemistry","2003","2003","","2839","2844","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4032707","24.3119","0.0007","24.3119","0.0007","13.9782","0.0008","90","","90","","90","","8262.1","0.6","187","2","187.65","","","","","","","","","3","I 4/m","-I 4","87","","","","- C79 H8 S2 -","- C79 H8 S2 -","- C632 H64 S16 -","8","0.5","","Yang, Wei-Wei; Li, Zong-Jun; Li, Shu-Hui; Wu, Sheng-Li; Shi, Zujin; Gao, Xiang","Reductive Activation of C70 Equatorial Carbons and Structurally Characterized C70 δ-Adduct with Closed [5,6]-Ring Fusion.","The Journal of organic chemistry","2017","82","17","9253","9257","10.1021/acs.joc.7b01756","","","0.71073","MoKα","","0.1036","0.0685","","","0.1555","0.1707","","","","","","1.1","","","","has coordinates,has disorder","200287","2020-10-21","18:00:00",""
"4078249","14.643","0.0007","14.643","0.0007","9.6955","0.0005","90","","90","","90","","2078.88","0.18","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","Ir(TTP)(CO)Br (Compound #4)","","","- C49 H36 Br Ir N4 O -","- C49 H36 Br Ir N4 O -","- C98 H72 Br2 Ir2 N8 O2 -","2","0.125","","Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith","Olefin Cyclopropanation Catalyzed by Iridium(III) Porphyrin Complexes","Organometallics","2012","31","9","3628","","10.1021/om300135f","","","0.71073","MoKα","","0.0282","0.0282","","","0.076","0.076","","","","","","1.154","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078250","14.6955","0.0005","14.6955","0.0005","9.7922","0.0004","90","","90","","90","","2114.7","0.13","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","Ir(TTP)(CO)I (Compound","","","- C49 H36 I Ir N4 O -","- C49 H36 I Ir N4 O -","- C98 H72 I2 Ir2 N8 O2 -","2","0.125","","Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith","Olefin Cyclopropanation Catalyzed by Iridium(III) Porphyrin Complexes","Organometallics","2012","31","9","3628","","10.1021/om300135f","","","0.71073","MoKα","","0.0477","0.0471","","","0.1362","0.1366","","","","","","1.346","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4083214","8.9934","0.0008","8.9934","0.0008","16.093","0.002","90","","90","","90","","1301.6","0.2","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C28 H20 Cl2 N8 Pd Si -","- C28 H20 Cl2 N8 Pd Si -","- C56 H40 Cl4 N16 Pd2 Si2 -","2","0.125","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0646","0.0439","","","0.0917","0.0994","","","","","","1.107","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103091","25.237","0.0008","25.237","0.0008","21.9026","0.0007","90","","90","","90","","13949.9","0.8","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","U24PCP12","","","- C12 O168 P24 U24 -","- C12 O168 P24 U24 -","- C24 O336 P48 U48 -","2","0.125","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0397","0.0302","","","0.0721","0.0736","","","","","","0.935","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103661","12.3235","0.0007","12.3235","0.0007","24.44","0.004","90","","90","","90","","3711.7","0.7","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C38 H22 Mo2 N2 O9 -","- C38 H22 Mo2 N2 O9 -","- C152 H88 Mo8 N8 O36 -","4","0.25","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1493","0.0936","","","0.1864","0.2086","","","","","","1.007","","","","has coordinates,has disorder","301832","2025-08-20","14:35:18",""
"4103671","31.651","0.008","31.651","0.008","32.246","0.016","90","","90","","90","","32304","2","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H336 Mo24 N40 O152 -","- C312 H336 Mo24 N40 O152 -","- C624 H672 Mo48 N80 O304 -","2","0.125","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1282","0.0754","","","0.1656","0.1805","","","","","","1.012","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103776","39.761","0.002","39.761","0.002","14.6366","0.001","90","","90","","90","","23140","2","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H92 K12 N24 O82 V18 -","- C36 H36 K12 N24 O77.7375 V18 -","- C288 H288 K96 N192 O621.9 V144 -","8","0.5","","Xikui Fang; Paul Kögerler; Lyle Isaacs; Sayaka Uchida; Noritaka Mizuno","Cucurbit[n]uril-Polyoxoanion Hybrids","Journal of the American Chemical Society","2009","131","","432","433","10.1021/ja807751b","","","0.71073","MoKα","","0.1346","0.0898","","","0.2204","0.237","","","","","","1.127","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4104538","13.3637","0.0004","13.3637","0.0004","9.5954","0.0007","90","","90","","90","","1713.63","0.14","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C44 H27 Fe N5 O -","- C44 H27 Fe N5 O -","- C88 H54 Fe2 N10 O2 -","2","0.125","","Wei-Min Ching; Chuan-Hung Chuang; Chih-Wei Wu; Chih-Hsiung Peng; Chen-Hsiung Hung","Facile Nitrite Reduction and Conversion Cycle of {Fe(NO)}6/7 Species: Chemistry of Iron N-Confused Porphyrin Complexes via Protonation/Deprotonation","Journal of the American Chemical Society","2009","131","","7952","7953","10.1021/ja901796j","","","0.71073","MoKα","","0.1219","0.0589","","","0.1518","0.17","","","","","","1.037","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104540","13.3762","0.0017","13.3762","0.0017","9.656","0.003","90","","90","","90","","1727.7","0.6","200","2","200","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C44 H28 Fe N5 O -","- C44 H28 Fe N5 O1.04 -","- C88 H56 Fe2 N10 O2.08 -","2","0.125","","Wei-Min Ching; Chuan-Hung Chuang; Chih-Wei Wu; Chih-Hsiung Peng; Chen-Hsiung Hung","Facile Nitrite Reduction and Conversion Cycle of {Fe(NO)}6/7 Species: Chemistry of Iron N-Confused Porphyrin Complexes via Protonation/Deprotonation","Journal of the American Chemical Society","2009","131","","7952","7953","10.1021/ja901796j","","","0.71073","MoKα","","0.0803","0.0496","","","0.1211","0.1321","","","","","","1.152","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104898","25.1839","0.0018","25.1839","0.0018","35.168","0.003","90","","90","","90","","22305","3","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","[Co32(C40H44S4O4)6(u3-O)24(H2O)24](CHCl3)12(H2O)69","","","- C252 H462 Cl36 Co32 O141 S24 -","- C240 H264 Co32 O72 S24 -","- C480 H528 Co64 O144 S48 -","2","0.125","","Yanfeng Bi; Xiu-Teng Wang; Wuping Liao; Xiaofei Wang; Xinwu Wang; Hongjie Zhang; Song Gao","A {Co32} Nanosphere Supported by p-tert-Butylthiacalix[4]arene","Journal of the American Chemical Society","2009","131","","11650","11651","10.1021/ja9034939","","","0.71073","MoKα","","0.0969","0.0847","","","0.261","0.2731","","","","","","1.067","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4105144","13.4973","0.0009","13.4973","0.0009","13.3928","0.0008","90","","90","","90","","2439.9","0.3","150","1","150","1","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H57 Fe4 O0.5 Si4 -","- C48 H56 Fe4 O0.5 Si4 -","- C96 H112 Fe8 O Si8 -","2","0.125","","David E. Herbert; Joe B. Gilroy; Wing Yan Chan; Laurent Chabanne; Anne Staubitz; Alan J. Lough; Ian Manners","Redox-Active Metallomacrocycles and Cyclic Metallopolymers: Photocontrolled Ring-Opening Oligomerization and Polymerization of Silicon-Bridged [1]Ferrocenophanes Using Substitutionally-Labile Lewis Bases as Initiators","Journal of the American Chemical Society","2009","131","","14958","14968","10.1021/ja904928c","","","0.71073","MoKα","","0.0624","0.0474","","","0.1352","0.146","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105894","13.1544","0.0009","13.1544","0.0009","12.0402","0.0008","90","","90","","90","","2083.4","0.2","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C12 H28 Cl2 Cu8 N48 O11 -","- C12 H8 Cl2 Cu8 N48 O11 -","- C24 H16 Cl4 Cu16 N96 O22 -","2","0.125","","Xian-Ming Zhang; Jin Lv; Fang Ji; Hai-Shun Wu; Haijun Jiao; Paul V. R. Schleyer","A Perfectly Square-Planar Tetracoordinated Oxygen in a Tetracopper Cluster-Based Coordination Polymer","Journal of the American Chemical Society","2011","133","","4788","4790","10.1021/ja201525a","","","0.71073","MoKα","","0.0663","0.0632","","","0.1727","0.1752","","","","","","1.115","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4106242","8.557","0.003","8.557","0.003","3.417","0.002","90","","90","","90","","250.2","0.19","140","1","140","1","","","","","","","","2","I 4/m","-I 4","87","","","","- Cl2 Tc -","- Cl2 Tc -","- Cl8 Tc4 -","4","0.25","","Frederic Poineau; Christos D. Malliakas; Philippe F. Weck; Brian L. Scott; Erik V. Johnstone; Paul M. Forster; Eunja Kim; Mercouri G. Kanatzidis; Kenneth R. Czerwinski; Alfred P. Sattelberger","Technetium Dichloride: A New Binary Halide Containing Metal-Metal Multiple Bonds","Journal of the American Chemical Society","2011","133","","8814","8817","10.1021/ja201788m","","","0.71073","MoKα","","0.0312","0.0312","","","0.0989","0.0989","","","","","","1.241","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106441","22.342","0.003","22.342","0.003","14.023","0.003","90","","90","","90","","7000","2","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C48 H32 As8 Cl5 O62 V16 -","- C48 H32 As8 Cl5 O62 V16 -","- C96 H64 As16 Cl10 O124 V32 -","2","0.125","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.1052","0.0818","","","0.2178","0.2353","","","","","","0.985","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106950","18.615","0.007","18.615","0.007","36.321","0.014","90","","90","","90","","12586","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","MMPF-1","","","- C36 H16 Cu3 N4 O10 -","- C36 H16 Cu3 N4 O10 -","- C288 H128 Cu24 N32 O80 -","8","0.5","","Xi-Sen Wang; Le Meng; Qigan Cheng; Chungsik Kim; Lukasz Wojtas; Matthew Chrzanowski; Yu-Sheng Chen; X. Peter Zhang; Shengqian Ma","Three-Dimensional Porous Metal-Metalloporphyrin Framework Consisting of Nanoscopic Polyhedral Cages","Journal of the American Chemical Society","2011","133","","16322","16325","10.1021/ja204339e","","","0.40663","synchrotron","","0.1772","0.096","","","0.2042","0.2186","","","","","","1.019","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4107420","13.344","0.005","13.344","0.005","9.651","0.004","90","","90","","90","","1718.5","1.2","130","2","130","2","","","","","","","","5","I 4/m","-I 4","87","(TPP)GaOH","(TPP)GaOH","","- C44 H29 Ga N4 O -","- C44 H29.04 Ga N4 O -","- C88 H58.08 Ga2 N8 O2 -","2","0.125","","Antonio G. DiPasquale; James M. Mayer","Hydrogen Peroxide: A Poor Ligand to Gallium Tetraphenylporphyrin","Journal of the American Chemical Society","2008","130","","1812","1813","10.1021/ja077598w","","","0.71069","MoKα","","0.0854","0.0638","","","0.1389","0.1467","","","","","","1.134","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107421","13.536","0.002","13.536","0.002","9.6581","0.0017","90","","90","","90","","1769.6","0.5","130","2","130","2","","","","","","","","4","I 4/m","-I 4","87","(TPP)GaCH3","","","- C45 H31 Ga N4 -","- C45 H31.12 Ga N4 -","- C90 H62.24 Ga2 N8 -","2","0.125","","Antonio G. DiPasquale; James M. Mayer","Hydrogen Peroxide: A Poor Ligand to Gallium Tetraphenylporphyrin","Journal of the American Chemical Society","2008","130","","1812","1813","10.1021/ja077598w","","","0.71073","MoKα","","0.1143","0.0619","","","0.128","0.1458","","","","","","1.001","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107592","12.1454","0.0003","12.1454","0.0003","27.8101","0.0016","90","","90","","90","","4102.3","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C44.5 H12.5 Cl1.5 F20 O4 S2 -","- C44.5 H8 Cl1.52 F20 O4 S2 -","- C178 H32 Cl6.08 F80 O16 S8 -","4","0.25","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Planar Meso Pentafluorophenyl Core Modified Isophlorins","Journal of the American Chemical Society","2008","130","","3718","3719","10.1021/ja710664y","","","0.71073","MoKα","","0.0635","0.0593","","","0.1938","0.2017","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108129","10.5437","0.0008","10.5437","0.0008","26.876","0.002","90","","90","","90","","2987.8","0.4","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C62 H50 Cl4 N20 O Ru5 -","- C62 H48 Cl4 N20 O Ru5 -","- C124 H96 Cl8 N40 O2 Ru10 -","2","0.125","","Caixia Yin; Gin-Chen Huang; Ching-Kuo Kuo; Ming-Dung Fu; Hao-Cheng Lu; Jhih-Hong Ke; Kai-Neng Shih; Yi-Lin Huang; Gene-Hsiang Lee; Chen-Yu Yeh; Chun-hsien Chen; Shie-Ming Peng","Extended Metal-Atom Chains with an Inert Second Row Transition Metal: [Ru5(μ5-tpda)4X2] (tpda2-= tripyridyldiamido dianion, X = Cl and NCS)","Journal of the American Chemical Society","2008","130","","10090","10092","10.1021/ja8016818","","","0.71073","MoKα","","0.1006","0.0808","","","0.2408","0.2577","","","","","","1.078","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108130","10.533","0.0007","10.533","0.0007","26.1558","0.0017","90","","90","","90","","2901.8","0.3","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C62 H44 N22 Ru5 S2 -","- C62 H44 N22 Ru5 S2 -","- C124 H88 N44 Ru10 S4 -","2","0.125","","Caixia Yin; Gin-Chen Huang; Ching-Kuo Kuo; Ming-Dung Fu; Hao-Cheng Lu; Jhih-Hong Ke; Kai-Neng Shih; Yi-Lin Huang; Gene-Hsiang Lee; Chen-Yu Yeh; Chun-hsien Chen; Shie-Ming Peng","Extended Metal-Atom Chains with an Inert Second Row Transition Metal: [Ru5(μ5-tpda)4X2] (tpda2-= tripyridyldiamido dianion, X = Cl and NCS)","Journal of the American Chemical Society","2008","130","","10090","10092","10.1021/ja8016818","","","0.71073","MoKα","","0.1069","0.0834","","","0.2539","0.2791","","","","","","1.054","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108265","31.2356","0.0014","31.2356","0.0014","30.617","0.003","90","","90","","90","","29872","3","153","2","153","2","","","","","","","","5","I 4/m","-I 4","87","MOP-15","","","- C358 H578 Cu24 N74 O185 -","- C344 H428 Cu24 N76 O168 -","- C688 H856 Cu48 N152 O336 -","2","0.125","","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","","0.0863","0.065","","","0.1829","0.1932","","","","","","1.008","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108576","24.9802","0.0001","24.9802","0.0001","30.8551","0.0002","90","","90","","90","","19253.9","0.17","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C91 H64 F19.5 N6.5 O8 P7.25 Re3 -","- C91 H64 F19.5 N6.5 O8 P7.25 Re3 -","- C728 H512 F156 N52 O64 P58 Re24 -","8","0.5","","Youhei Yamamoto; Shuhei Sawa; Yusuke Funada; Tatsuki Morimoto; Magnus Falkenström; Hiroshi Miyasaka; Sayaka Shishido; Tomoji Ozeki; Kazuhide Koike; Osamu Ishitani","Systematic Synthesis, Isolation, and Photophysical Properties of Linear-Shaped Re(I) Oligomers and Polymers with 2-20 Units","Journal of the American Chemical Society","2008","130","","14659","14674","10.1021/ja8044579","","","0.71073","MoKα","","0.0539","0.0476","","","0.1562","0.1598","","","","","","1.075","","","","has coordinates","264242","2021-04-16","08:51:52",""
"4109332","11.4046","0.0009","11.4046","0.0009","27.538","0.004","90","","90","","90","","3581.7","0.7","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C64 H64 Cl La3 N16 O28 -","- C64 H64 Cl La3 N16 O28 -","- C128 H128 Cl2 La6 N32 O56 -","2","0.125","","Yu-Bin Dong; Peng Wang; Jian-Ping Ma; Xia-Xia Zhao; Hai-Ying Wang; Bo Tang; Ru-Qi Huang","Coordination-Driven Nanosized Lanthanide ""Molecular Lantern"" with Tunable Luminescent Properties","Journal of the American Chemical Society","2007","129","","4872","4873","10.1021/ja070058e","","","0.71073","MoKα","","0.0335","0.0297","","","0.0666","0.0683","","","","","","1.068","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109333","11.3839","0.0013","11.3839","0.0013","27.512","0.006","90","","90","","90","","3565.4","1","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C64 H64 Ce3 Cl N16 O28 -","- C64 H64 Ce3 Cl N16 O28 -","- C128 H128 Ce6 Cl2 N32 O56 -","2","0.125","","Yu-Bin Dong; Peng Wang; Jian-Ping Ma; Xia-Xia Zhao; Hai-Ying Wang; Bo Tang; Ru-Qi Huang","Coordination-Driven Nanosized Lanthanide ""Molecular Lantern"" with Tunable Luminescent Properties","Journal of the American Chemical Society","2007","129","","4872","4873","10.1021/ja070058e","","","0.71073","MoKα","","0.0293","0.0254","","","0.0634","0.0652","","","","","","1.059","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109334","11.3309","0.0016","11.3309","0.0016","27.469","0.007","90","","90","","90","","3526.7","1.1","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C64 H64 Cl N16 O28 Sm3 -","- C64 H64 Cl N16 O28 Sm3 -","- C128 H128 Cl2 N32 O56 Sm6 -","2","0.125","","Yu-Bin Dong; Peng Wang; Jian-Ping Ma; Xia-Xia Zhao; Hai-Ying Wang; Bo Tang; Ru-Qi Huang","Coordination-Driven Nanosized Lanthanide ""Molecular Lantern"" with Tunable Luminescent Properties","Journal of the American Chemical Society","2007","129","","4872","4873","10.1021/ja070058e","","","0.71073","MoKα","","0.0291","0.026","","","0.0645","0.0657","","","","","","1.096","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109335","11.3115","0.001","11.3115","0.001","27.413","0.004","90","","90","","90","","3507.5","0.7","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C64 H64 Cl Eu3 N16 O28 -","- C64 H64 Cl Eu3 N16 O28 -","- C128 H128 Cl2 Eu6 N32 O56 -","2","0.125","","Yu-Bin Dong; Peng Wang; Jian-Ping Ma; Xia-Xia Zhao; Hai-Ying Wang; Bo Tang; Ru-Qi Huang","Coordination-Driven Nanosized Lanthanide ""Molecular Lantern"" with Tunable Luminescent Properties","Journal of the American Chemical Society","2007","129","","4872","4873","10.1021/ja070058e","","","0.71073","MoKα","","0.0331","0.029","","","0.0707","0.0726","","","","","","1.058","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109336","11.3002","0.0006","11.3002","0.0006","27.361","0.003","90","","90","","90","","3493.8","0.5","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C64 H64 Cl N16 O28 Tb3 -","- C64 H64 Cl N16 O28 Tb3 -","- C128 H128 Cl2 N32 O56 Tb6 -","2","0.125","","Yu-Bin Dong; Peng Wang; Jian-Ping Ma; Xia-Xia Zhao; Hai-Ying Wang; Bo Tang; Ru-Qi Huang","Coordination-Driven Nanosized Lanthanide ""Molecular Lantern"" with Tunable Luminescent Properties","Journal of the American Chemical Society","2007","129","","4872","4873","10.1021/ja070058e","","","0.71073","MoKα","","0.0394","0.0375","","","0.1009","0.1024","","","","","","1.055","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109552","13.302","0.003","13.302","0.003","9.662","0.004","90","","90","","90","","1709.6","0.9","120","2","120","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C44 H28 Ge N4 -","- C44 H28 Ge N4 -","- C88 H56 Ge2 N8 -","2","0.125","","Julie A. Cissell; Thomas P. Vaid; Glenn P. A. Yap","Reversible Oxidation State Change in Germanium(tetraphenylporphyrin) Induced by a Dative Ligand: Aromatic GeII(TPP) and Antiaromatic GeIV(TPP)(pyridine)2","Journal of the American Chemical Society","2007","129","","7841","7847","10.1021/ja070794i","","","0.71073","MoKα","","0.0611","0.0605","","","0.1575","0.1577","","","","","","1.078","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4111040","18.7833","0.0012","18.7833","0.0012","25.861","0.003","90","","90","","90","","9124.1","1.3","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C83 H86 F3 O11 P4 S U -","- C83 H86 F3 O11 P4 S U -","- C332 H344 F12 O44 P16 S4 U4 -","4","0.25","","Shanmugaperumal Kannan; Anthony E. Vaughn; Eric M. Weis; Charles L. Barnes; Paul B. Duval","Anhydrous Photochemical Uranyl(VI) Reduction: Unprecedented Retention of Equatorial Coordination Accompanying Reversible Axial Oxo/Alkoxide Exchange","Journal of the American Chemical Society","2006","128","","14024","14025","10.1021/ja065822w","","","0.71073","MoKα","","0.0648","0.042","","","0.1228","0.131","","","","","","1.086","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4112087","8.966","0.0013","8.966","0.0013","25.244","0.005","90","","90","","90","","2029.3","0.6","120","2","","","","","","","","","","6","I 4/m","-I 4","87","","","","- As20 B16 Cl10 Cs6 H16 O80 -","- As20 B16 Cl10 Cs6 H16 O80 -","- As20 B16 Cl10 Cs6 H16 O80 -","1","0.0625","","Seth B. Wiggin; Mark T. Weller","Boroarsenates: A Framework Motif and Family Templated on Cations and Anions","Journal of the American Chemical Society","2005","127","","17172","17173","10.1021/ja055262l","","","0.71073","MoKα","","","0.0451","","","","0.1208","","","","","","1.082","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112627","15.9353","0.0016","15.9353","0.0016","23.817","0.003","90","","90","","90","","6047.9","1.1","180","2","180","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C82 H156 N8 O48 U4 -","- C82 H144 N8 O48 U4 -","- C164 H288 N16 O96 U8 -","2","0.125","","Pierre Thuéry; Claude Villiers; Joël Jaud; Michel Ephritikhine; Bernardo Masci","Uranyl-Based Metallamacrocycles: Tri- and Tetranuclear Complexes with (2R,3R,4S,5S)-Tetrahydrofurantetracarboxylic Acid","Journal of the American Chemical Society","2004","126","","6838","6839","10.1021/ja0485964","","","0.71073","MoKα","","0.1254","0.0627","","","0.1323","0.1669","","","","","","1.071","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4113896","18.6162","0.0011","18.6162","0.0011","16.184","0.0013","90","","90","","90","","5608.8","0.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H96 Cl4 Cu2 N16 O16 -","- C100 H96 Cl4.06 Cu2 N16 O16 -","- C200 H192 Cl8.12 Cu4 N32 O32 -","2","0.125","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.1166","0.107","","","0.2353","0.2392","","","","","","1.136","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113897","15.301","0.002","15.301","0.002","23.303","0.005","90","","90","","90","","5455.7","1.5","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H116 Cl4 N16 Ni2 O10 -","- C100 H96 Cl4 N16 Ni2 O10 -","- C200 H192 Cl8 N32 Ni4 O20 -","2","0.125","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.2125","0.0798","","","0.1981","0.2398","","","","","","0.982","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113904","17.952","0.003","17.952","0.003","25.388","","90","","90","","90","","8181.9","1.9","223","2","223","2","","","","","","","","8","I 4/m","-I 4","87","3.2CH2Cl2","","","- C78 H60 Ag Au4 Cl8 F6 P4 Sb -","- C78 H60 Ag Au4 Cl8 F6 P4 Sb -","- C312 H240 Ag4 Au16 Cl32 F24 P16 Sb4 -","4","0.25","","Ke Zhang; Janardhana Prabhavathy; John H. K. Yip; Lip Lin Koh; Geok Kheng Tan; Jagadese J. Vittal","First Examples of AuI-X-AgI Halonium Cations (X = Cl and Br)","Journal of the American Chemical Society","2003","125","","8452","8453","10.1021/ja035064z","","","0.71073","MoKα","","0.0647","0.0454","","","0.1213","0.1318","","","","","","1.056","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113905","18.018","0.0005","18.018","0.0005","25.702","0.0013","90","","90","","90","","8344.1","0.5","223","2","223","2","","","","","","","","9","I 4/m","-I 4","87","4.2CH2Cl2","","","- C78 H60 Ag Au4 Br4 Cl4 F6 P4 Sb -","- C78 H60 Ag Au4 Br4 Cl4 F6 P4 Sb -","- C312 H240 Ag4 Au16 Br16 Cl16 F24 P16 Sb4 -","4","0.25","","Ke Zhang; Janardhana Prabhavathy; John H. K. Yip; Lip Lin Koh; Geok Kheng Tan; Jagadese J. Vittal","First Examples of AuI-X-AgI Halonium Cations (X = Cl and Br)","Journal of the American Chemical Society","2003","125","","8452","8453","10.1021/ja035064z","","","0.71073","MoKα","","0.0943","0.054","","","0.1356","0.1536","","","","","","1.02","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4114095","19.9157","0.0014","19.9157","0.0014","25.76","0.004","90","","90","","90","","10217.3","1.9","213","2","213","2","","","","","","","","6","I 4/m","-I 4","87","{cis-(DAniF)2Ru2Cl(oxalate)(H2O)}4 (CH3CN) 2(C6H14) 12H2O","","","- C142 H183 Cl4 N17 O48 Ru8 -","- C142 H127.12 Cl4 N17 O48 Ru8 -","- C284 H254.24 Cl8 N34 O96 Ru16 -","2","0.125","","Panagiotis Angaridis; John F. Berry; F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Molecular Squares with Paramagnetic Diruthenium Corners: Synthetic and Crystallographic Challenges","Journal of the American Chemical Society","2003","125","","10327","10334","10.1021/ja036095x","","","0.71073","MoKα","","0.1231","0.082","","","0.1973","0.2443","","","","","","1.147","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114288","17.131","0.003","17.131","0.003","33.136","0.009","90","","90","","90","","9724","4","193.1","","","","","","","","","","","9","I 4/m","-I 4","87","","","","- C124 H193 Cl8 Cu24 Li6 N18 O8.5 S24 W8 -","- C94 H120 Cl8 Cu24 Li6 N14 S24 W8 -","- C188 H240 Cl16 Cu48 Li12 N28 S48 W16 -","2","0.125","","Jian-Ping Lang; Qing-Feng Xu; Zhong-Ning Chen; Brendan F. Abrahams","Assembly of a Supramolecular Cube, [(Cp*WS3Cu3)8Cl8(CN)12Li4] from a Preformed Incomplete Cubane-like Compound [PPh4][Cp*WS3(CuCN)3]","Journal of the American Chemical Society","2003","125","","12682","12683","10.1021/ja036995d","","","0.7107","MoKα","","","0.063","","","","0.072","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115585","11.5136","0.0005","11.5136","0.0005","7.2291","0.0008","90","","90","","90","","958.31","0.12","173","2","173","2","","","","","","","synthesized","5","I 4/m","-I 4","87","","Catena((μ2-ν2:ν2-ethylene)-tetrakis(μ2-trifluoroacetato-O,O')- dirhodium(II,II)","","- C10 H4 F12 O8 Rh2 -","- C10 H4 F12 O8 Rh2 -","- C20 H8 F24 O16 Rh4 -","2","0.125","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina; Robert E. Taylor","A Polymeric Chain in Which μ2,η2:η2-Ethene Symmetrically Bridges Tetra(trifluoroacetato) Dirhodium Molecules","Journal of the American Chemical Society","2001","123","","5831","5832","10.1021/ja0160750","","","0.71073","MoKα","","0.0318","0.0312","","0.0794","0.0781","","","","1.117","1.118","1.118","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4117927","26.0148","0.0012","26.0148","0.0012","43.71","0.004","90","","90","","90","","29582","3","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Ni24 O126 S24 -","- C312 H288 Ni24 O126 S24 -","- C624 H576 Ni48 O252 S48 -","2","0.125","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.1226","0.104","","","0.3171","0.3438","","","","","","1.04","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117928","26.1192","0.0014","26.1192","0.0014","43.919","0.005","90","","90","","90","","29962","4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Co24 O126 S24 -","- C312 H288 Co24 O126 S24 -","- C624 H576 Co48 O252 S48 -","2","0.125","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0905","0.0749","","","0.2303","0.2475","","","","","","0.992","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117929","26.1265","0.0012","26.1265","0.0012","43.923","0.004","90","","90","","90","","29982","3","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Mg24 O126 S24 -","- C312 H288 Mg24 O126 S24 -","- C624 H576 Mg48 O252 S48 -","2","0.125","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0871","0.0807","","","0.2982","0.3097","","","","","","1.111","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4118168","4.1371","0.0007","4.1371","0.0007","21.477","0.004","90","","90","","90","","367.59","0.11","296","2","296","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C2 F O2 Pb -","- C2 F O2 Pb -","- C8 F4 O8 Pb4 -","4","0.25","","Honghan Fei; Catherine H. Pham; Scott R. J. Oliver","Anion Exchange of the Cationic Layered Material [Pb2F2]2+","Journal of the American Chemical Society","2012","134","","10729","10732","10.1021/ja3017686","","","0.71073","MoKα","","0.0178","0.0176","","","0.0506","0.0508","","","","","","1.245","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118169","4.116","0.003","4.116","0.003","24.003","0.015","90","","90","","90","","406.6","0.5","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C5 H6 F2 O4 Pb2 -","- C5 F2 O4 Pb2 -","- C10 F4 O8 Pb4 -","2","0.125","","Honghan Fei; Catherine H. Pham; Scott R. J. Oliver","Anion Exchange of the Cationic Layered Material [Pb2F2]2+","Journal of the American Chemical Society","2012","134","","10729","10732","10.1021/ja3017686","","","0.71073","MoKα","","0.02","0.019","","","0.0461","0.0476","","","","","","1.163","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4119081","9.9752","0.0002","9.9752","0.0002","15.8828","0.0002","90","","90","","90","","1580.41","0.05","150","","150","","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H48 Cl2 Mo2 N12 -","- C28 H48 Cl2 Mo2 N12 -","- C56 H96 Cl4 Mo4 N24 -","2","0.125","","Chisholm, Malcolm H.; Gallucci, Judith; Hadad, Christopher M.; Huffman, John C.; Wilson, Paul J.","M2(hpp)4Cl2and M2(hpp)4, Where M = Mo and W: Preparations, Structure and Bonding, and Comparisons with C2, C2H2, and C2Cl2and the Hypothetical Molecules M2(hpp)4(H)2†","Journal of the American Chemical Society","2003","125","51","16040","16049","10.1021/ja0301065","","","0.71073","MoKα","","0.0311","0.0275","","0.0719","0.0706","","","","1.137","1.146","1.146","","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4120993","21.9986","0.0003","21.9986","0.0003","29.9603","0.0006","90","","90","","90","","14498.9","0.4","293","","293","","","","","","","","","5","I 4/m","-I 4","87","","","","- C208 H198 Cl18 O112 U38 -","- C208 H200 Cl18 O114 U38 -","- C416 H400 Cl36 O228 U76 -","2","0.125","","Clément Falaise; Christophe Volkringer; Jean-François Vigier; Arnaud Beaurain; Pascal Roussel; Pierre Rabu; Thierry Loiseau","Isolation of the Large {Actinide}38 Poly-oxo Cluster with Uranium","Journal of the American Chemical Society","2013","135","","15678","15681","10.1021/ja4067207","","x-ray","0.71069","MoKα","","0.0799","0.0477","","","0.0631","0.0647","","","","2.32","2.32","1.94","","","","has coordinates,has Fobs","178986","2020-10-21","18:00:00",""
"4121465","14.6766","0.0006","14.6766","0.0006","28.0033","0.001","90","","90","","90","","6032","0.4","150","2","150","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C62 H36 O36 Zr6 -","- C62 H32 O35.04 Zr6 -","- C124 H64 O70.08 Zr12 -","2","0.125","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.71073","MoKα","","0.0597","0.0519","","","0.1763","0.1897","","","","","","1.233","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121782","29.335","0.006","29.335","0.006","41.358","0.01","90","","90","","90","","35590","13","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C360 H372 Co24 O126 S24 -","- C360 H328 Co24 O126 S24 -","- C720 H656 Co48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1917","0.1391","","","0.347","0.3755","","","","","","1.121","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121783","29.2376","0.0018","29.2376","0.0018","42.213","0.005","90","","90","","90","","36085","5","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C432 H516 Ni24 O126 S24 -","- C432 H512 Ni24 O126 S24 -","- C864 H1024 Ni48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1203","0.1074","","","0.3241","0.3423","","","","","","1.538","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121785","28.618","0.002","28.618","0.002","41.216","0.006","90","","90","","90","","33755","6","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C336 H324 Co24 O126 S24 -","- C336 H312 Co24 O126 S24 -","- C672 H624 Co48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1709","0.1496","","","0.3957","0.431","","","","","","1.59","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121786","29.6397","0.0016","29.6397","0.0016","42.389","0.004","90","","90","","90","","37239","5","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C432 H516 Mg24 O126 S24 -","- C432 H504 Mg24 O126 S24 -","- C864 H1008 Mg48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1425","0.1341","","","0.4214","0.4411","","","","","","1.095","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121787","29.335","0.005","29.335","0.005","41.486","0.002","90","","90","","90","","35700","9","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C360 H372 Ni24 O126 S24 -","- C360 H296 Ni24 O126 S24 -","- C720 H592 Ni48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.135","0.0957","","","0.2529","0.2774","","","","","","1.042","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121788","29.5252","0.0014","29.5252","0.0014","42.576","0.004","90","","90","","90","","37115","4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C432 H516 Co24 O126 S24 -","- C432 H504 Co24 O126 S24 -","- C864 H1008 Co48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1161","0.101","","","0.3149","0.3355","","","","","","1.236","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4122973","34.623","0.002","34.623","0.002","16.4266","0.001","90","","90","","90","","19691","2","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C168 H104 Mo8 N24 O56 -","- C168 H104 Mo8 N24 O56 -","- C336 H208 Mo16 N48 O112 -","2","0.125","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.0881","0.0626","","","0.1625","0.1693","","","","","","1.002","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122977","31.22","0.01","31.22","0.01","24.656","0.008","90","","90","","90","","24032","13","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C252 H156 Mo12 N36 O80 -","- C252 H156 Mo12 N36 O80 -","- C504 H312 Mo24 N72 O160 -","2","0.125","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.2542","0.1353","","","0.2555","0.2847","","","","","","0.994","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122978","31.22","0.03","31.22","0.03","25.05","0.03","90","","90","","90","","24416","4","110","2","110","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C252 H156 Cu5.6 Mo6.4 N36 O78 -","- C252 H156 Cu5.6 Mo6.4 N36 O78 -","- C504 H312 Cu11.2 Mo12.8 N72 O156 -","2","0.125","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.3304","0.1434","","","0.2659","0.315","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123147","32.764","0.0012","32.764","0.0012","32.257","0.002","90","","90","","90","","34627","3","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C136 H936 Cl24 Nd104 O692 -","- C120 H312 Cl24 Nd104 O534 -","- C240 H624 Cl48 Nd208 O1068 -","2","0.125","","Peng, Jun-Bo; Kong, Xiang-Jian; Zhang, Qian-Chong; Orendáč, Martin; Prokleška, Jan; Ren, Yan-Ping; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun","Beauty, Symmetry, and Magnetocaloric Effect-Four-Shell Keplerates with 104 Lanthanide Atoms.","Journal of the American Chemical Society","2014","","","141218121523002","","10.1021/ja5107749","","","0.71073","MoKα","","0.1517","0.103","","","0.2193","0.2456","","","","","","1.029","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123922","7.556","","7.556","","27.257","","90","","90","","90","","1556.19","","","","","","","","","","","","","4","I 4/m","-I 4","87","","(Mg (N H3)6) Hg22","","- H18 Hg22 Mg N6 -","- Hg22 Mg N6 -","- Hg44 Mg2 N12 -","2","0.125","","Hwang, I.-C.; Drews, T.; Seppelt, K.","Mg (N H3)6 Hg22, a mercury intercalation compound","Journal of the American Chemical Society","2000","122","","8486","8489","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124191","26.1284","0.0006","26.1284","0.0006","34.1663","0.0009","90","","90","","90","","23325.1","1","150","2","149.94","","","","","","","","","5","I 4/m","-I 4","87","","","","- C123 H199 Cu6 N27 O50 -","- C124 H118 Cu12 N16 O60 -","- C496 H472 Cu48 N64 O240 -","4","0.25","","Vukotic, V. Nicholas; O'Keefe, Christopher A; Zhu, Kelong; Harris, Kristopher J.; To, Christine; Schurko, Robert W.; Loeb, Stephen J.","Mechanically Interlocked Linkers inside Metal-Organic Frameworks: Effect of Ring Size on Rotational Dynamics.","Journal of the American Chemical Society","2015","","","150723135020006","","10.1021/jacs.5b04674","","","1.54178","CuKα","","0.0786","0.0761","","","0.2164","0.2189","","","","","","1.116","","","","has coordinates","152487","2020-10-21","18:00:00",""
"4124354","36.935","0.005","36.935","0.005","53.156","0.011","90","","90","","90","","72515","2","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C720 H1306 N216 O577 Pd24 -","- C720 H440 N216 O144 Pd24 -","- C1440 H880 N432 O288 Pd48 -","2","0.125","","Bhat, Imtiyaz Ahmad; Samanta, Dipak; Mukherjee, Partha Sarathi","A Pd24 Pregnant Molecular Nanoball: Self-Templated Stellation by Precise Mapping of Coordination Sites.","Journal of the American Chemical Society","2015","137","29","9497","9502","10.1021/jacs.5b06628","","","0.71073","MoKα","","0.1285","0.0869","","","0.2436","0.2698","","","","","","0.875","","","","has coordinates","154250","2020-10-21","18:00:00",""
"4125163","27.401","0.011","27.401","0.011","35.409","0.014","90","","90","","90","","26586","18","296","2","296.15","","","","","","","","","3","I 4/m","-I 4","87","","","","- C192 Cu24 O144 -","- C192 Cu24 O144 -","- C384 Cu48 O288 -","2","0.125","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0808","0.0529","","","0.1339","0.1406","","","","","","0.9139","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125168","27.571","0.004","27.571","0.004","35.456","0.005","90","","90","","90","","26952","7","100","","100","","","","","","","","","3","I 4/m","-I 4","87","","","","- C200 Cu24 O145 -","- C200 Cu24 O145 -","- C400 Cu48 O290 -","2","0.125","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0911","0.0661","","","0.1831","0.1935","","","","","","0.9157","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125671","28.832","0.002","28.832","0.002","18.2998","0.0015","90","","90","","90","","15212.3","1.9","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","CB7","","- C59 H93 I N29 O25.5 -","- C59 H70 I0.87 N29 O17.204 -","- C472 H560 I6.96 N232 O137.632 -","8","0.5","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.064","0.0489","","","0.097","0.1035","","","","","","1.134","","","","has coordinates,has disorder","193068","2020-10-21","18:00:00",""
"4126257","16.654","0.005","16.654","0.005","19.604","0.011","90","","90","","90","","5437","4","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","Zn2(PdTCPP)","","","- C48 H28 N4 O10 Pd Zn2 -","- C48 H28 N4 O10 Pd Zn2 -","- C96 H56 N8 O20 Pd2 Zn4 -","2","0.125","","Ding, Yanjun; Chen, Ying-Pin; Zhang, Xinlei; Chen, Liang; Dong, Zhaohui; Jiang, Hai-Long; Xu, Hangxun; Zhou, Hong-Cai","Controlled Intercalation and Chemical Exfoliation of Layered Metal-Organic Frameworks Using a Chemically Labile Intercalating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04829","","","0.71073","MoKα","","0.0773","0.0488","","","0.1127","0.1174","","","","","","1.028","","","","has coordinates","198318","2020-10-21","18:00:00",""
"4126371","30.22","0.002","30.22","0.002","34.323","0.006","90","","90","","90","","31345","6","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H20 Cu9 N20 O24 Zn6 -","- C40 H20 Cu9 N20 O24 Zn6 -","- C320 H160 Cu72 N160 O192 Zn48 -","8","0.5","","Tu, Binbin; Pang, Qingqing; Xu, Huoshu; Li, Xiaomin; Wang, Yulin; Ma, Zhen; Weng, Linhong; Li, Qiaowei","Reversible Redox Activity in Multicomponent Metal-Organic Frameworks Constructed from Trinuclear Copper Pyrazolate Building Blocks.","Journal of the American Chemical Society","2017","139","23","7998","8007","10.1021/jacs.7b03578","","","1.54178","CuKα","","0.1107","0.0881","","","0.2128","0.2247","","","","","","1.468","","","","has coordinates","200250","2020-10-21","18:00:00",""
"4127019","15.7244","0.0002","15.7244","0.0002","21.469","0.0004","90","","90","","90","","5308.36","0.14","150","0.1","150","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C52 H100 Ag14 B60 N8 S12 -","- C52 H100 Ag14 B60 N8 S12 -","- C104 H200 Ag28 B120 N16 S24 -","2","0.125","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0532","0.0466","","","0.1262","0.131","","","","","","1.113","","","","has coordinates,has disorder","205092","2020-10-21","18:00:00",""
"4127025","16.721","0.003","16.721","0.003","19.704","0.005","90","","90","","90","","5509","2","298","","298","","","","101","","","","synthetic","7","I 4/m","-I 4","87","zirconium nickel cyclam carboxylate","6,13-dicarboxy-1,4,8,11-tetrazacyclotetradecan copper zirconium oxide","none","- C24 H44 Cl4 Cu2 N8 O36 Zr3 -","- C24 H44 Cl4 Cu2 N8 O36 Zr3 -","- C96 H176 Cl16 Cu8 N32 O144 Zr12 -","4","0.25","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","powder diffraction","x-ray","0.45336","Synchrotronmono-beam","","","","","","","","0.1635","","5.58","","","","","","","has coordinates","205263","2020-10-21","18:00:00",""
"4127029","16.51","0.003","16.51","0.003","19.811","0.005","90","","90","","90","","5400.1","1.9","298","","298","","","","101","","","","synthetic","7","I 4/m","-I 4","87","zirconium nickel cyclam carboxylate","6,13-dicarboxy-1,4,8,11-tetrazacyclotetradecan nickel zirconium oxide","none","- C24 H44 Cl4 N8 Ni2 O32 Zr3 -","- C24 H44 Cl4 N8 Ni2 O32 Zr3 -","- C96 H176 Cl16 N32 Ni8 O128 Zr12 -","4","0.25","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","powder diffraction","x-ray","0.45336","Synchrotronmono-beam","","","","","","","","0.17027","","4.16","","","","","","","has coordinates","205267","2020-10-21","18:00:00",""
"4127750","19.6881","0.0013","19.6881","0.0013","19.0607","0.0018","90","","90","","90","","7388.3","1","160","2","160","2","","","","","","","","6","I 4/m","-I 4","87","U24","","","- C0 H0 K26.92 O159 P0 U24 -","- K27.024 O158.98 U24 -","- K54.048 O317.96 U48 -","2","0.125","","Xu, Mengyu; Traustason, Hrafn; Bo, Fabrice Dal; Hickam, Sarah; Chong, Saehwa; Zhang, Lei; Oliver, Allen G.; Burns, Peter C.","Supramolecular Assembly of Geometrically Unstable Hybrid Organic-Inorganic Uranyl Peroxide Cage Clusters and Their Transformations.","Journal of the American Chemical Society","2019","141","32","12780","12788","10.1021/jacs.9b05599","","","0.71073","MoKα","","0.0256","0.021","","","0.0462","0.0474","","","","","","1.05","","","","has coordinates","220921","2020-10-21","18:00:00",""
"4127978","16.7157","0.0005","16.7157","0.0005","27.2185","0.001","90","","90","","90","","7605.2","0.4","171","","171","","","","","","","","","4","I 4/m","-I 4","87","","","","- Cl24.02 H96 O168.11 Zr12 -","- Cl24.0264 O168.106 Zr12 -","- Cl48.0528 O336.211 Zr24 -","2","0.125","","Sommers, James A.; Hutchison, Danielle C.; Martin, Nicolas P.; Kozma, Karoly; Keszler, Douglas A.; Nyman, May","Peroxide-Promoted Disassembly Reassembly of Zr-Polyoxocations.","Journal of the American Chemical Society","2019","141","42","16894","16902","10.1021/jacs.9b08627","","","1.54178","CuKα","","0.0963","0.0729","","","0.2106","0.2322","","","","","","1.041","","","","has coordinates,has disorder","221120","2020-10-21","18:00:00",""
"4128512","31.08","0.005","31.08","0.005","31.25","0.005","90","","90","","90","","30186","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C272 H252 N20 O152 Rh24 -","- C272 H252 N20 O152 Rh24 -","- C544 H504 N40 O304 Rh48 -","2","0.125","","Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel","Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","9","4094","4102","10.1021/jacs.8b13593","","","0.70192","synchrotron","","0.0934","0.0901","","","0.2606","0.2704","","","","","","1.247","","","","has coordinates","221594","2020-10-21","18:00:00",""
"4129073","29.44","0.004","29.44","0.004","41.56","0.004","90","","90","","90","","36021","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C63 H36 N6 O33 Rh6 -","- C63 H36 N6 O33 Rh6 -","- C504 H288 N48 O264 Rh48 -","8","0.5","","Grancha, Thais; Carne-Sanchez, Arnau; Hernández-López, Laura; Albalad, Jorge; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Phase Transfer of Rhodium(II)-Based Metal-Organic Polyhedra Bearing Coordinatively-Bound Cargo Enables Molecular Separation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10403","","","0.72656","synchrotron","","0.0998","0.0945","","","0.3583","0.3806","","","","","","1.973","","","","has coordinates","223369","2020-10-21","18:00:00",""
"4129838","26.5211","0.0007","26.5211","0.0007","39.0679","0.0016","90","","90","","90","","27479.1","1.5","128.9","0.3","128.9","0.3","","","","","","","","5","I 4/m","-I 4","87","","","","- C407 H569 Cu24 N50 O201 -","- C224 H200 Cu24 N8 O144 -","- C448 H400 Cu48 N16 O288 -","2","0.125","","Niu, Zheng; Fang, Sheng; Liu, Xiao; Ma, Jian-Gong; Ma, Shengqian; Cheng, Peng","Coordination-Driven Polymerization of Supramolecular Nanocages.","Journal of the American Chemical Society","2015","137","47","14873","14876","10.1021/jacs.5b10815","","","0.71073","MoKα","","0.0966","0.0671","","","0.1853","0.1991","","","","","","0.944","","","","has coordinates","240491","2020-10-21","18:00:00",""
"4132186","15.7186","0.0003","15.7186","0.0003","29.22","0.0006","90","","90","","90","","7219.5","0.2","230","2","230","","","","","","","","","5","I 4/m","-I 4","87","","","","- C72 Cu3 N12 O36 Zr6 -","- C72 Cu3 N12 O36 Zr6 -","- C144 Cu6 N24 O72 Zr12 -","2","0.125","","Muldoon, Patrick F.; Liu, Chong; Miller, Carson C.; Koby, S. Benjamin; Gamble Jarvi, Austin; Luo, Tian-Yi; Saxena, Sunil; O'Keeffe, Michael; Rosi, Nathaniel L.","Programmable Topology in New Families of Heterobimetallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","20","6194","6198","10.1021/jacs.8b02192","","","1.54178","CuKα","","0.0716","0.0688","","","0.2593","0.2618","","","","","","1.171","","","","has coordinates","242212","2020-10-21","18:00:00",""
"4133005","26.4448","0.0019","26.4448","0.0019","34.036","0.003","90","","90","","90","","23802","3","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C187 H633 Br12 Gd60 N15 O399 -","- C32 H36 Br12 Gd60 O224 -","- C64 H72 Br24 Gd120 O448 -","2","0.125","","Luo, Xi-Ming; Hu, Zhao-Bo; Lin, Qing-Fang; Cheng, Weiwei; Cao, Jia-Peng; Cui, Chen-Hui; Mei, Hua; Song, You; Xu, Yan","Exploring the Performance Improvement of Magnetocaloric Effect Based Gd-Exclusive Cluster Gd<sub>60</sub>.","Journal of the American Chemical Society","2018","140","36","11219","11222","10.1021/jacs.8b07841","","","0.71073","MoKα","","0.1625","0.098","","","0.2788","0.3201","","","","","","1.108","","","","has coordinates,has disorder","242858","2020-10-21","18:00:00",""
"4134108","5.9165","0.0008","5.9165","0.0008","51.658","0.007","90","","90","","90","","1808.3","0.4","373","2","373","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C20 H72 Br20 N8 Sn6 -","2","0.125","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.0836","0.0431","","","0.0924","0.1123","","","","","","1.03","","","","has coordinates,has disorder","247486","2020-10-21","18:00:00",""
"4300878","13.558","0.0015","13.558","0.0015","9.6846","0.0011","90","","90","","90","","1780.2","0.3","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C45 H30 N4 O2 Ru -","- C45 H28 N4 O2 Ru -","- C90 H56 N8 O4 Ru2 -","2","0.125","","Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini","Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins","Inorganic Chemistry","2005","44","","2039","2049","10.1021/ic048587w","","","0.71073","MoKα","","0.0404","0.0364","","","0.0942","0.0958","","","","","","1.158","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4301303","13.4152","0.0002","13.4152","0.0002","9.7151","0.0003","90","","90","","90","","1748.4","0.07","272","2","272","2","","","","","","","synthesized","5","I 4/m","-I 4","87","[Fe(TPP)(NO)]","","","- C44 H28 Fe N5 O -","- C44 H28 Fe N5 O1.04 -","- C88 H56 Fe2 N10 O2.08 -","2","0.125","","Nathan J. Silvernail; Marilyn M. Olmstead; Bruce C. Noll","Tetragonal to Triclinic-A Phase Change for [Fe(TPP)(NO)]","Inorganic Chemistry","2009","48","","971","977","10.1021/ic801617q","","x-ray","0.71073","MoKα","","0.0486","0.0391","","","0.1132","0.1239","","","","","","1.087","","","","has coordinates","179051","2020-10-21","18:00:00",""
"4301304","13.4466","0.0003","13.4466","0.0003","9.7498","0.0005","90","","90","","90","","1762.87","0.11","293","2","100","2","","","","","","","synthesized","5","I 4/m","-I 4","87","[Fe(TPP)(NO]","","","- C44 H28 Fe N5 O -","- C44 H28 Fe N5 O1.04 -","- C88 H56 Fe2 N10 O2.08 -","2","0.125","","Nathan J. Silvernail; Marilyn M. Olmstead; Bruce C. Noll","Tetragonal to Triclinic-A Phase Change for [Fe(TPP)(NO)]","Inorganic Chemistry","2009","48","","971","977","10.1021/ic801617q","","","0.71073","MoKα","","0.0419","0.034","","","0.0996","0.1077","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4301305","13.4748","0.0012","13.4748","0.0012","9.7686","0.0018","90","","90","","90","","1773.7","0.4","293","2","293","2","","","","","","","synthesized","5","I 4/m","-I 4","87","[Fe(TPP)(NO]","","","- C44 H28 Fe N5 O -","- C44 H28 Fe N5 O1.04 -","- C88 H56 Fe2 N10 O2.08 -","2","0.125","","Nathan J. Silvernail; Marilyn M. Olmstead; Bruce C. Noll","Tetragonal to Triclinic-A Phase Change for [Fe(TPP)(NO)]","Inorganic Chemistry","2009","48","","971","977","10.1021/ic801617q","","","0.71073","MoKα","","0.0477","0.0351","","","0.0989","0.1069","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4301306","13.4502","0.0003","13.4502","0.0003","9.7533","0.0004","90","","90","","90","","1764.45","0.09","293","2","293","2","","","","","","","synthesized","5","I 4/m","-I 4","87","[Fe(TPP)(NO]","","","- C44 H28 Fe N5 O1.04 -","- C44 H28 Fe N5 O1.04 -","- C88 H56 Fe2 N10 O2.08 -","2","0.125","","Nathan J. Silvernail; Marilyn M. Olmstead; Bruce C. Noll","Tetragonal to Triclinic-A Phase Change for [Fe(TPP)(NO)]","Inorganic Chemistry","2009","48","","971","977","10.1021/ic801617q","","","0.71073","MoKα","","0.0497","0.0372","","","0.1024","0.1115","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4302969","15.9515","0.0008","15.9515","0.0008","25.1154","0.0012","90","","90","","90","","6390.6","0.5","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C48 H88 As8 Na6 O56 Pd13 -","- C48 H40 As8 O64 Pd13 -","- C96 H80 As16 O128 Pd26 -","2","0.125","","Natalya V. Izarova; Michael H. Dickman; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Vasanth Ramachandran; Naresh S. Dalal; Ulrich Kortz","Heteropoly-13-Palladates(II) [PdII13(AsVPh)8O32]6- and [PdII13SeIV8O32]6-","Inorganic Chemistry","2009","48","","7504","7506","10.1021/ic900953a","","","0.71073","MoKα","","0.099","0.051","","","0.1384","0.1656","","","","","","1.041","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4303091","20.7048","0.0005","20.7048","0.0005","19.9285","0.0006","90","","90","","90","","8543.1","0.4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","Mo(NCMe)(CO)3(CNArDipp2)2","","","- C65.5 H74 Mo N2.25 O3 -","- C65.53 H74 Mo N2.26 O3.02 -","- C262.12 H296 Mo4 N9.04 O12.08 -","4","0.25","","Treffly B. Ditri; Brian J. Fox; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Effective Control of Ligation and Geometric Isomerism: Direct Comparison of Steric Properties Associated with Bis-mesityl and Bis-diisopropylphenyl m-Terphenyl Isocyanides","Inorganic Chemistry","2009","48","","8362","8375","10.1021/ic9010828","","","1.54178","CuKα","","0.0895","0.0699","","","0.2205","0.2389","","","","","","1.098","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4303850","26.9335","0.0003","26.9335","0.0003","21.0993","0.0007","90","","90","","90","","15305.7","0.6","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","","","- Cu20 H148 I K12 Li13 O270 P8 W48 -","- Cu20 I K12 O225.2 P8 W48 -","- Cu40 I2 K24 O450.4 P16 W96 -","2","0.125","","Sib Sankar Mal; Bassem S. Bassil; Masooma Ibrahim; Saritha Nellutla; Johan van Tol; Naresh S. Dalal; Jorge A. Fernández; Xavier López; Josep M. Poblet; Rosa Ngo Biboum; Bineta Keita; Ulrich Kortz","Wheel-Shaped Cu20-Tungstophosphate [Cu20X(OH)24(H2O)12(P8W48O184)]25- Ion (X = Cl, Br, I) and the Role of the Halide Guest","Inorganic Chemistry","2009","48","","11636","11645","10.1021/ic901641f","","","0.71073","MoKα","","0.0898","0.07","","","0.2013","0.2179","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303995","13.7583","0.0013","13.7583","0.0013","5.1261","0.0007","90","","90","","90","","970.32","0.19","153","2","153","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Ba4 Fe2 I5 S4 -","- Ba4 Fe2 I5 S4 -","- Ba8 Fe4 I10 S8 -","2","0.125","","Danielle L. Gray; Gary J. Long; Fernande Grandjean; Raphaël P. Hermann; James A. Ibers","Syntheses, Structure, and a Mössbauer and Magnetic Study of Ba4Fe2I5S4","Inorganic Chemistry","2008","47","","94","100","10.1021/ic701085c","","","0.71073","MoKα","","0.0358","0.0346","","","0.0902","0.0904","","","","","","2.302","","","","has coordinates","179077","2020-10-21","18:00:00",""
"4305250","11.2163","0.001","11.2163","0.001","18.286","0.003","90","","90","","90","","2300.5","0.5","193","2","193","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C18 H24 Ag F6 N4 Sb -","- C18 H24 Ag F6 N4 Sb -","- C72 H96 Ag4 F24 N16 Sb4 -","4","0.25","","Emerson D. Genuis; Joel A. Kelly; Malay Patel; Robert McDonald; Michael J. Ferguson; Grace Greidanus-Strom","Coordination Polymers from the Self-Assembly of Silver(I) Salts and Two Nonlinear Aliphatic Dinitrile Ligands, cis-1,3-Cyclopentanedicarbonitrile and cis-1,3-Bis(cyanomethyl)cyclopentane: Synthesis, Structures, and Photoluminescent Properties","Inorganic Chemistry","2008","47","","6184","6194","10.1021/ic800069f","","","0.71073","MoKα","","0.0489","0.0483","","","0.1479","0.1482","","","","","","1.328","","","","has coordinates,has disorder","179090","2020-10-21","18:00:00",""
"4305431","16.9501","0.0008","16.9501","0.0008","15.3669","0.0014","90","","90","","90","","4415","0.5","150","2","150","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C29.1 H40.4 Cu F15 N5 O5.1 Sb2 Si0.5 -","- C28.5 H16 Cu F15 N5 O4.52 Sb2 Si0.5 -","- C114 H64 Cu4 F60 N20 O18.08 Sb8 Si2 -","4","0.25","","Junhua Jia; Alexander J. Blake; Neil R. Champness; Peter Hubberstey; Claire Wilson; Martin Schröder","Multi-Dimensional Transition-Metal Coordination Polymers of 4,4'-Bipyridine-N,N'-dioxide: 1D Chains and 2D Sheets","Inorganic Chemistry","2008","47","","8652","8664","10.1021/ic800422g","","","0.71073","MoKα","","0.0922","0.087","","","0.247","0.251","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4306837","18.805","0.003","18.805","0.003","27.473","0.006","90","","90","","90","","9715","3","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C89 H112 Cl2 Fe Mn4 N15 O25 -","- C89 H88 Cl2 Fe Mn4 N15 O25 -","- C356 H352 Cl8 Fe4 Mn16 N60 O100 -","4","0.25","","Wei-Wei Ni; Zhong-Hai Ni; Ai-Li Cui; Xin Liang; Hui-Zhong Kou","Cyanide-Bridged Mn(III)-Fe(III) Bimetallic Complexes Based on the Pentacyano(1-methylimidazole)ferrate(III) Building Block: Structure and Magnetic Characterizations","Inorganic Chemistry","2007","46","","22","33","10.1021/ic060575i","","","0.71073","MoKα","","0.1674","0.1326","","","0.264","0.2855","","","","","","1.046","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4308145","37.43","0.002","37.43","0.002","19.6822","0.0014","90","","90","","90","","27575","3","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C24 H112 Fe4 K4 N8 O100 Si2 W20 -","- C18 H44 Fe4 K4 N5 O98 Si2 W20 -","- C144 H352 Fe32 K32 N40 O784 Si16 W160 -","8","0.5","","Bogdan Botar; Paul Kögerler; Craig L. Hill","Tetrairon and Hexairon Hydroxo/Acetato Clusters Stabilized by Multiple Polyoxometalate Scaffolds. Structures, Magnetic Properties, and Chemistry of a Dimer and a Trimer","Inorganic Chemistry","2007","46","","5398","5403","10.1021/ic070126y","","","0.71073","MoKα","","0.0936","0.062","","","0.1766","0.1898","","","","","","1.03","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308251","25.7938","0.0003","25.7938","0.0003","22.0081","0.0005","90","","90","","90","","14642.4","0.4","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- Cu20 K12 N18 Na8 O237.25 P8 W48 -","- Cu20 K12 N18 Na8 O237.25 P8 W48 -","- Cu40 K24 N36 Na16 O474.5 P16 W96 -","2","0.125","","Céline Pichon; Pierre Mialane; Anne Dolbecq; Jérôme Marrot; Eric Rivière; Bineta Keita; Louis Nadjo; Francis Sécheresse","Characterization and Electrochemical Properties of Molecular Icosanuclear and Bidimensional Hexanuclear Cu(II) Azido Polyoxometalates","Inorganic Chemistry","2007","46","","5292","5301","10.1021/ic070313w","","","0.71073","MoKα","","0.0663","0.0413","","","0.1191","0.1609","","","","","","1.274","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308524","20.462","0.0006","20.462","0.0006","18.9592","0.001","90","","90","","90","","7938.1","0.5","295","2","295","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C36 H116 Cl0.5 Cu16 N57.5 Nd6 O106.5 -","- C36 H116 Cl0.5 Cu16 N57.5 Nd6 O106.54 -","- C72 H232 Cl Cu32 N115 Nd12 O213.08 -","2","0.125","","Feng He; Ming-Liang Tong; Xiao-Lan Yu; Xiao-Ming Chen","Controlled Aggregation of Heterometallic Nanoscale Cu12Ln6 Clusters (Ln = GdIII or NdIII) into 2D Coordination Polymers","Inorganic Chemistry","2005","44","","559","565","10.1021/ic048754s","","","0.71073","MoKα","","0.0908","0.0894","","","0.2102","0.2111","","","","","","1.318","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308525","20.3962","0.0004","20.3962","0.0004","18.8438","0.0009","90","","90","","90","","7839.1","0.4","295","2","295","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C36 H116 Cl0.5 Cu16 Gd6 N57.5 O106.5 -","- C36 H116 Cl0.5 Cu16 Gd6 N57.5 O106.54 -","- C72 H232 Cl Cu32 Gd12 N115 O213.08 -","2","0.125","","Feng He; Ming-Liang Tong; Xiao-Lan Yu; Xiao-Ming Chen","Controlled Aggregation of Heterometallic Nanoscale Cu12Ln6 Clusters (Ln = GdIII or NdIII) into 2D Coordination Polymers","Inorganic Chemistry","2005","44","","559","565","10.1021/ic048754s","","","0.71073","MoKα","","0.046","0.0408","","","0.1328","0.1382","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308791","13.39919","0.0004","13.39919","0.0004","9.71159","0.00033","90","","90","","90","","1743.6","0.09","","","","","","","","","","","","5","I 4/m","-I 4","87","Ru(TPP)O2","","","- C44 H28 N4 O2 Ru -","- C44 H28 N4 O2 Ru -","- C88 H56 N8 O4 Ru2 -","2","0.125","","Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini","Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins","Inorganic Chemistry","2005","44","","2039","2049","10.1021/ic048587w","","","","","","","","","","","","","","","","","","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4309474","10.4869","0.001","10.4869","0.001","12.084","0.002","90","","90","","90","","1328.9","0.3","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C16 H40 Cu N14 -","- C16 H40 Cu N14 -","- C32 H80 Cu2 N28 -","2","0.125","","Sandip Saha; Subratanath Koner; Jean-Pierre Tuchagues; Athanassios K. Boudalis; Ken-Ichi Okamoto; Surajit Banerjee; Dasarath Mal","Cation-Dependent Nuclearity of the Copper-Azido Moiety: Synthesis, Structure, and Magnetic Study","Inorganic Chemistry","2005","44","","6379","6385","10.1021/ic050117u","","","0.71073","MoKα","","0.0355","0.0343","","0.1102","0.1092","","","","1.207","1.22","1.22","","","","","has coordinates","301836","2025-08-20","19:35:01",""
"4312236","10.06","0.003","10.06","0.003","16.021","0.004","90","","90","","90","","1621.4","0.8","296","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H48 Cl2 N12 Ru2 -","- C28 H48 Cl2 N12 Ru2 -","- C56 H96 Cl4 N24 Ru4 -","2","0.125","","F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson","Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting","Inorganic Chemistry","2004","43","","8373","8378","10.1021/ic048946n","","","0.71073","MoKα","","0.0273","0.0258","","","0.0683","0.0701","","","","","","1.091","","","","has coordinates,has disorder","301837","2025-08-20","21:36:53",""
"4312237","9.9206","0.0013","9.9206","0.0013","15.886","0.002","90","","90","","90","","1563.5","0.4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H48 Cl2 N12 Ru2 -","- C28 H48 Cl2 N12 Ru2 -","- C56 H96 Cl4 N24 Ru4 -","2","0.125","","F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson","Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting","Inorganic Chemistry","2004","43","","8373","8378","10.1021/ic048946n","","","0.71073","MoKα","","0.0283","0.0277","","","0.0693","0.07","","","","","","1.066","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312238","9.905","0.0009","9.905","0.0009","15.862","0.0015","90","","90","","90","","1556.2","0.2","50","2","50","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H48 Cl2 N12 Ru2 -","- C28 H48 Cl2 N12 Ru2 -","- C56 H96 Cl4 N24 Ru4 -","2","0.125","","F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson","Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting","Inorganic Chemistry","2004","43","","8373","8378","10.1021/ic048946n","","","0.71073","MoKα","","0.0297","0.0289","","","0.0693","0.0698","","","","","","1.071","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312239","9.891","0.0009","9.891","0.0009","15.8447","0.0015","90","","90","","90","","1550.1","0.2","27","2","28","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H48 Cl2 N12 Ru2 -","- C28 H48 Cl2 N12 Ru2 -","- C56 H96 Cl4 N24 Ru4 -","2","0.125","","F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson","Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting","Inorganic Chemistry","2004","43","","8373","8378","10.1021/ic048946n","","","0.71073","MoKα","","0.0305","0.0298","","","0.0667","0.0671","","","","","","1.096","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312879","12.517","0.002","12.517","0.002","48.015","0.009","90","","90","","90","","7523","2","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C48 H104 N12 Na4 O43 Sc3 -","- C48 H72 N12 Na4 O43 Sc3 -","- C192 H288 N48 Na16 O172 Sc12 -","4","0.25","","F. Benetollo; Gabriella Bombieri; L. Calabi; S. Aime; M. Botta","Structural Variations Across the Lanthanide Series of Macrocyclic DOTA Complexes: Insights into the Design of Contrast Agents for Magnetic Resonance Imaging","Inorganic Chemistry","2003","42","","148","157","10.1021/ic025790n","","","0.71073","MoKα","","0.0646","0.0554","","","0.1449","0.1661","","","","","","1.012","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4313138","13.8638","0.0003","13.8638","0.0003","8.9183","0.0002","90","","90","","90","","1714.14","0.07","293","1","293","1","","","","","","","","4","I 4/m","-I 4","87","","","","- F8.32 I Nb3.25 O0.18 -","- F8.32 I Nb3.25 O0.18 -","- F66.56 I8 Nb26 O1.44 -","8","0.5","","S. Cordier; O. Hernandez; J.-Y. Thépot; A. I. Shames; C. Perrin","Synthesis, Crystal Structure, and Characterization of the First Nb3 Triangular Cluster Compound Bonded to Fluorine Ligands: Association of Nb3IiFi3Fa8La Units and NbIVL6 Octahedra with L = O and F","Inorganic Chemistry","2003","42","","1101","1106","10.1021/ic025667w","","","0.71073","MoKα","","","0.0227","","","","0.0244","","","","","","1.0935","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313445","29.9365","0.0014","29.9365","0.0014","28.151","0.003","90","","90","","90","","25229","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","Cu3(dpa)4Cl2SbCl6(C2H4Cl2)2.86(C6H12)0.792","","","- C48.33 H48.67 Cl11.58 Cu3 N12 Sb -","- C48.314 H48.608 Cl12.08 Cu3 N12 Sb1.5 -","- C773.024 H777.728 Cl193.28 Cu48 N192 Sb24 -","16","1","","John F. Berry; F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Xiaoping Wang","Oxidation of Ni3(dpa)4Cl2 and Cu3(dpa)4Cl2: Nickel-Nickel Bonding Interaction, but No Copper-Copper Bonds","Inorganic Chemistry","2003","42","","2418","2427","10.1021/ic0262740","","","0.71073","MoKα","","0.0878","0.0674","","","0.1789","0.1927","","","","","","0.995","","","","has coordinates,has disorder","179193","2020-10-21","18:00:00",""
"4313566","13.4741","0.0005","13.4741","0.0005","9.6462","0.0005","90","","90","","90","","1751.28","0.13","180","2","180","2","","","","","","","","4","I 4/m","-I 4","87","Rh(III)TPP(Me)","","","- C45 H31 N4 Rh -","- C45 H31.12 N4 Rh -","- C90 H62.24 N8 Rh2 -","2","0.125","","Eugen Stulz; Sonya M. Scott; Andrew D. Bond; Sijbren Otto; Jeremy K. M. Sanders","Complexation of Diphenyl(phenylacetenyl)phosphine to Rhodium(III) Tetraphenyl Porphyrins: Synthesis and Structural, Spectroscopic, and Thermodynamic Studies","Inorganic Chemistry","2003","42","","3086","3096","10.1021/ic026257a","","","0.7107","MoKα","","0.0434","0.0408","","","0.0746","0.0753","","","","","","1.15","","","","has coordinates","179196","2020-10-21","18:00:00",""
"4313742","15.5732","0.0011","15.5732","0.0011","10.9631","0.0011","90","","90","","90","","2658.8","0.4","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- Ge8 H28 K5 O62 S V12 -","- Ge8 K5 O62.048 S V12 -","- Ge16 K10 O124.096 S2 V24 -","2","0.125","","T. Whitfield; X. Wang; A. J. Jacobson","Vanadogermanate Cluster Anions","Inorganic Chemistry","2003","42","","3728","3733","10.1021/ic0206185","","","0.71073","MoKα","","0.0565","0.038","","","0.0885","0.0944","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314705","10.8844","0.0008","10.8844","0.0008","11.5046","0.0018","90","","90","","90","","1363","0.3","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Ag9 K3 S12 Sb4 -","- Ag9 K3 S12 Sb4 -","- Ag18 K6 S24 Sb8 -","2","0.125","","Hua-Gang Yao; Peng Zhou; Shou-Hua Ji; Ren-Chun Zhang; Min Ji; Yong-Lin An; Gui-Ling Ning","Syntheses and Characterization of a Series of Silver-Thioantimonates(III) and Thioarsenates(III) Containing Two Types of Silver-Sulfur Chains","Inorganic Chemistry","2010","49","","1186","1190","10.1021/ic902084u","","","0.71073","MoKα","","0.0502","0.0494","","","0.1162","0.1168","","","","","","1.079","","","","has coordinates","179227","2020-10-21","18:00:00",""
"4314706","10.9396","0.0003","10.9396","0.0003","11.6137","0.0009","90","","90","","90","","1389.87","0.12","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Ag9 Rb3 S12 Sb4 -","- Ag9 Rb3 S12 Sb4 -","- Ag18 Rb6 S24 Sb8 -","2","0.125","","Hua-Gang Yao; Peng Zhou; Shou-Hua Ji; Ren-Chun Zhang; Min Ji; Yong-Lin An; Gui-Ling Ning","Syntheses and Characterization of a Series of Silver-Thioantimonates(III) and Thioarsenates(III) Containing Two Types of Silver-Sulfur Chains","Inorganic Chemistry","2010","49","","1186","1190","10.1021/ic902084u","","","0.71073","MoKα","","0.0495","0.0474","","","0.1396","0.1418","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314707","11.0356","0.0004","11.0356","0.0004","11.8076","0.0009","90","","90","","90","","1437.98","0.13","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Ag9 Cs3 S12 Sb4 -","- Ag9 Cs3 S12 Sb4 -","- Ag18 Cs6 S24 Sb8 -","2","0.125","","Hua-Gang Yao; Peng Zhou; Shou-Hua Ji; Ren-Chun Zhang; Min Ji; Yong-Lin An; Gui-Ling Ning","Syntheses and Characterization of a Series of Silver-Thioantimonates(III) and Thioarsenates(III) Containing Two Types of Silver-Sulfur Chains","Inorganic Chemistry","2010","49","","1186","1190","10.1021/ic902084u","","","0.71073","MoKα","","0.0486","0.0485","","","0.1148","0.1148","","","","","","1.096","","","","has coordinates","179227","2020-10-21","18:00:00",""
"4315102","9.608","0.003","9.608","0.003","15.404","0.007","90","","90","","90","","1422","0.9","213","2","213","2","","","","","","","","5","I 4/m","-I 4","87","Ru2(tbn)4Cl2","","","- C24 H40 Cl2 N12 Ru2 -","- C24 H40 Cl2 N12 Ru2 -","- C48 H80 Cl4 N24 Ru4 -","2","0.125","","Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young; Qinliang Zhao","Large Changes in Electronic Structures of Ru26+ Species Caused by the Variations of the Bite Angle of Guanidinate Ligands: Tuning Magnetic Behavior","Inorganic Chemistry","2010","49","","3051","3056","10.1021/ic100100a","","","0.71073","MoKα","","0.0982","0.068","","","0.138","0.1483","","","","","","1.958","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315103","9.596","0.003","9.596","0.003","15.425","0.009","90","","90","","90","","1420.4","1","30","2","30","2","","","","","","","","5","I 4/m","-I 4","87","Ru2(tbn)4Cl2","","","- C24 H40 Cl2 N12 Ru2 -","- C24 H40 Cl2 N12 Ru2 -","- C48 H80 Cl4 N24 Ru4 -","2","0.125","","Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young; Qinliang Zhao","Large Changes in Electronic Structures of Ru26+ Species Caused by the Variations of the Bite Angle of Guanidinate Ligands: Tuning Magnetic Behavior","Inorganic Chemistry","2010","49","","3051","3056","10.1021/ic100100a","","","0.71073","MoKα","","0.1304","0.0696","","","0.1023","0.1145","","","","","","1.292","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315104","8.9365","0.0019","8.9365","0.0019","15.349","0.005","90","","90","","90","","1225.8","0.5","213","2","213","2","","","","","","","","5","I 4/m","-I 4","87","Ru2(tbo)4Cl2","","","- C20 H32 Cl2 N12 Ru2 -","- C20 H32 Cl2 N12 Ru2 -","- C40 H64 Cl4 N24 Ru4 -","2","0.125","","Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young; Qinliang Zhao","Large Changes in Electronic Structures of Ru26+ Species Caused by the Variations of the Bite Angle of Guanidinate Ligands: Tuning Magnetic Behavior","Inorganic Chemistry","2010","49","","3051","3056","10.1021/ic100100a","","","0.71073","MoKα","","0.0583","0.0393","","","0.08","0.0865","","","","","","1.435","","","","has coordinates,has disorder","179231","2020-10-21","18:00:00",""
"4315105","8.8419","0.0019","8.8419","0.0019","15.289","0.004","90","","90","","90","","1195.3","0.5","70","2","70","2","","","","","","","","5","I 4/m","-I 4","87","Ru2(tbo)4Cl2","","","- C20 H32 Cl2 N12 Ru2 -","- C20 H32 Cl2 N12 Ru2 -","- C40 H64 Cl4 N24 Ru4 -","2","0.125","","Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young; Qinliang Zhao","Large Changes in Electronic Structures of Ru26+ Species Caused by the Variations of the Bite Angle of Guanidinate Ligands: Tuning Magnetic Behavior","Inorganic Chemistry","2010","49","","3051","3056","10.1021/ic100100a","","","0.71073","MoKα","","0.1152","0.0557","","","0.1114","0.1301","","","","","","1.136","","","","has coordinates,has disorder","179231","2020-10-21","18:00:00",""
"4315106","8.827","0.002","8.827","0.002","15.28","0.006","90","","90","","90","","1190.6","0.6","30","2","30","2","","","","","","","","5","I 4/m","-I 4","87","Ru2(tbo)4Cl2","","","- C20 H32 Cl2 N12 Ru2 -","- C20 H32 Cl2 N12 Ru2 -","- C40 H64 Cl4 N24 Ru4 -","2","0.125","","Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young; Qinliang Zhao","Large Changes in Electronic Structures of Ru26+ Species Caused by the Variations of the Bite Angle of Guanidinate Ligands: Tuning Magnetic Behavior","Inorganic Chemistry","2010","49","","3051","3056","10.1021/ic100100a","","","0.71073","MoKα","","0.1162","0.0536","","","0.103","0.1247","","","","","","1.116","","","","has coordinates,has disorder","179231","2020-10-21","18:00:00",""
"4315454","14.9706","0.0002","14.9706","0.0002","26.6564","0.0009","90","","90","","90","","5974.2","0.2","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C92 H136 Cu4 N8 O24 S8 -","- C92 H76 Cu4 N8 O20 S8 -","- C184 H152 Cu8 N16 O40 S16 -","2","0.125","","Fangna Dai; Jianmin Dou; Haiyan He; Xiaoliang Zhao; Daofeng Sun","Self-Assembly of Metal-Organic Supramolecules: From a Metallamacrocycle and a Metal-Organic Coordination Cage to 1D or 2D Coordination Polymers Based on Flexible Dicarboxylate Ligands","Inorganic Chemistry","2010","49","","4117","4124","10.1021/ic902178c","","","0.71073","MoKα","","0.1083","0.0625","","","0.1877","0.2181","","","","","","0.728","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4316038","13.4106","0.0019","13.4106","0.0019","9.6824","0.0019","90","","90","","90","","1741.3","0.5","195","2","195","2","","","","","","","synthesized","5","I 4/m","-I 4","87","[Co(TPP)(NO)]","","","- C44 H28 Co N5 O -","- C44 H28 Co N5 O1.04 -","- C88 H56 Co2 N10 O2.08 -","2","0.125","","Laura M. Grande; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Dynamics of NO Motion in Solid-State [Co(tetraphenylporphinato)(NO)]","Inorganic Chemistry","2010","49","","6552","6557","10.1021/ic1003462","","","0.71073","MoKα","","0.0423","0.0358","","","0.0981","0.1038","","","","","","0.899","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316039","13.3518","0.0003","13.3518","0.0003","9.6444","0.0003","90","","90","","90","","1719.31","0.08","200","2","200","2","","","","","","","","5","I 4/m","-I 4","87","[Co(TPP)(NO)]","","","- C44 H28 Co N5 O -","- C44 H28 Co N5 O1.04 -","- C88 H56 Co2 N10 O2.08 -","2","0.125","","Laura M. Grande; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Dynamics of NO Motion in Solid-State [Co(tetraphenylporphinato)(NO)]","Inorganic Chemistry","2010","49","","6552","6557","10.1021/ic1003462","","x-ray","0.71073","MoKα","","0.0446","0.0384","","","0.1058","0.113","","","","","","1.09","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316040","13.3719","0.0005","13.3719","0.0005","9.6786","0.0004","90","","90","","90","","1730.61","0.12","250","2","250","2","","","","","","","synthesized","5","I 4/m","-I 4","87","[Co(TPP)(NO)]","","","- C44 H28 Co N5 O -","- C44 H28 Co N5 O1.04 -","- C88 H56 Co2 N10 O2.08 -","2","0.125","","Laura M. Grande; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Dynamics of NO Motion in Solid-State [Co(tetraphenylporphinato)(NO)]","Inorganic Chemistry","2010","49","","6552","6557","10.1021/ic1003462","","","0.71073","MoKα","","0.0399","0.0353","","","0.0977","0.1027","","","","","","1.104","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316041","13.4576","0.0003","13.4576","0.0003","9.6853","0.0003","90","","90","","90","","1754.08","0.08","100","2","100","2","","","","","","","synthesized","5","I 4/m","-I 4","87","[Fe(TPP)(Cl)]","","","- C44 H28 Cl Fe N4 -","- C44 H28 Cl Fe N4 -","- C88 H56 Cl2 Fe2 N8 -","2","0.125","","Laura M. Grande; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Dynamics of NO Motion in Solid-State [Co(tetraphenylporphinato)(NO)]","Inorganic Chemistry","2010","49","","6552","6557","10.1021/ic1003462","","","0.71073","MoKα","","0.0613","0.0583","","","0.1351","0.1363","","","","","","1.352","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4318121","24.249","0.0015","24.249","0.0015","31.304","0.003","90","","90","","90","","18407","2","154","2","154","2","","","","","","","synthetic","8","I 4/m","-I 4","87","","","","- C173 H368 Cr12 I12 K N85 Ni12 O46 -","- C172 H268 Cr12 I12.04 K N84 Ni12 O8 -","- C344 H536 Cr24 I24.08 K2 N168 Ni24 O16 -","2","0.125","","Jennifer J. Sokol; Matthew P. Shores; Jeffrey R. Long","Giant Metal-Cyanide Coordination Clusters: Tetracapped Edge-Bridged Cubic Cr12Ni12(CN)48 and Double Face-Centered Cubic Cr14Ni13(CN)48 Species","Inorganic Chemistry","2002","41","","3052","3054","10.1021/ic0255499","","","0.71073","MoKα","","0.1341","0.1132","","0.2988","0.2802","","","","1.136","1.184","1.184","","","","","has coordinates,has disorder","179261","2020-10-21","18:00:00",""
"4318792","13.524","0.002","13.524","0.002","9.763","0.002","90","","90","","90","","1785.6","0.5","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","oxaporphyrin","5,10,15,20 - tetraphenyl-21-oxaporphyrin iron(III) complex","","- C44 H28 Cl2 Fe N3 O -","- C44 H28 Cl2 Fe N3 O -","- C88 H56 Cl4 Fe2 N6 O2 -","2","0.125","","Miłosz Pawlicki; Lechosław Latos-Grażyński","Iron Complexes of 5,10,15,20-Tetraphenyl-21-oxaporphyrin","Inorganic Chemistry","2002","41","","5866","5873","10.1021/ic025718p","","","0.71073","MoKα","","0.0866","0.0801","","","0.1912","0.1957","","","","","","1.074","","","","has coordinates","179267","2020-10-21","18:00:00",""
"4319876","23.889","0.002","23.889","0.002","9.7525","0.0011","90","","90","","90","","5565.6","0.9","228","2","228","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C15 H21 B2 F8 I N3 Re -","- C15 H21 B2 F8 I N3 Re -","- C120 H168 B16 F64 I8 N24 Re8 -","8","0.5","","Yi Han; C. Jeff Harlan; Philipp Stoessel; Brian J. Frost; Jack R. Norton; Susie Miller; Brian Bridgewater; Qiang Xu","Rhenium Oxo Complexes of a Chelating Diyne Ligand. Synthesis and Study of the Kinetics of Protonation","Inorganic Chemistry","2001","40","","2942","2952","10.1021/ic0100931","","","0.71073","MoKα","","0.081","0.0588","","","0.1696","0.1932","","","","","","1.073","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4321042","9.949","0.002","9.949","0.002","15.841","0.002","90","","90","","90","","1568","0.5","213","2","213","2","","","","","","","synthesized","5","I 4/m","-I 4","87","","[tetrakis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a] pyrimidinate)ditungsten(III)]dichloride","","- C28 H48 Cl2 N12 W2 -","- C28 H48 Cl2 N12 W2 -","- C56 H96 Cl4 N24 W4 -","2","0.125","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; James P. Donahue; Carlos A. Murillo; Daren J. Timmons","Completion of the Series of M2(hpp)4Cl2 Compounds from W to Pt: The W, Os, and Pt Compounds","Inorganic Chemistry","2000","39","","2581","2584","10.1021/ic991370v","","","0.71073","MoKα","","0.0567","0.0529","","0.1139","0.1118","","","","1.277","1.282","1.282","","","","","has coordinates,has disorder","301838","2025-08-20","22:17:33",""
"4321521","11.5085","0.0004","11.5085","0.0004","9.5177","0.0004","90","","90","","90","","1260.58","0.08","90","1","90","1","","","","","","","","5","I 4/m","-I 4","87","","","","- C5 K6 Mo6 N5 Se8 -","- C5 K6 Mo6 N5 Se8 -","- C10 K12 Mo12 N10 Se16 -","2","0.125","","Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks","A Cyanide-Bridged Chain of Mo6Se8 Clusters: A Product of Cyanide-Melt Cluster Synthesis","Inorganic Chemistry","2000","39","","5000","5001","10.1021/ic000833q","","","0.71073","MoKα","","0.0411","0.0236","","","0.0432","0.0458","","","","","","0.931","","","","has coordinates,has disorder","179318","2020-10-21","18:00:00",""
"4322172","16.444","0.003","16.444","0.003","14.178","0.005","90","","90","","90","","3833.8","1.7","295","","295","","","","","","","","chemical synthesis","5","I 4/m","-I 4","87","","","","- C9 H19 Co2 N5 O13 -","- C9 H11 Co2 N4.5 O10 -","- C72 H88 Co16 N36 O80 -","8","0.5","","Donatella Armentano; Giovanni De Munno; Francesc Lloret; Miguel Julve","Novel Three-Dimensional Cage Assembly of a μ4-Carbonato-Bridged Cobalt(II) Compound [Co2(bpm)(H2O)2(CO3)(OH)]NO3.4H2O","Inorganic Chemistry","1999","38","","3744","3747","10.1021/ic981323n","","","0.71073","MoKα","","17.48","9.49","","19.83","14.78","","","","","1.537","1.537","","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4323615","13.6529","0.0006","13.6529","0.0006","9.7904","0.0005","90","","90","","90","","1824.95","0.15","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C44 H28 N6 O3 Ru -","- C44 H28 N6.04 O3 Ru -","- C88 H56 N12.08 O6 Ru2 -","2","0.125","","Katrina M. Miranda; Xianhui Bu; Ivan Lorković; Peter C. Ford","Synthesis and Structural Characterization of Several Ruthenium Porphyrin Nitrosyl Complexes","Inorganic Chemistry","1997","36","","4838","4848","10.1021/ic970065b","","","0.71073","MoKα","","0.0515","0.0487","","0.1557","0.1405","","","","1.304","1.306","1.306","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323616","13.5423","0.0004","13.5423","0.0004","9.715","0.0004","90","","90","","90","","1781.67","0.1","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C44 H29 N5 O2 Ru -","- C44 H29.04 N5 O2 Ru -","- C88 H58.08 N10 O4 Ru2 -","2","0.125","","Katrina M. Miranda; Xianhui Bu; Ivan Lorković; Peter C. Ford","Synthesis and Structural Characterization of Several Ruthenium Porphyrin Nitrosyl Complexes","Inorganic Chemistry","1997","36","","4838","4848","10.1021/ic970065b","","","0.71073","MoKα","","0.0414","0.0392","","0.0933","0.0922","","","","1.282","1.29","1.29","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4324424","9.679","0.004","9.679","0.004","15.448","0.008","90","","90","","90","","1447.2","1.1","213","2","213","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H40 Cl2 N12 Re2 -","- C24 H40 Cl2 N12 Re2 -","- C48 H80 Cl4 N24 Re4 -","2","0.125","","Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young","Tuning the Electrochemistry of Re26+ Species with Divergent Bicyclic Guanidinate Ligands and by Modification of Axial π Interactions","Inorganic Chemistry","2011","50","","1258","1264","10.1021/ic101890p","","","0.71073","MoKα","","0.0714","0.0599","","","0.1435","0.1482","","","","","","1.915","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324426","8.977","0.003","8.977","0.003","15.36","0.006","90","","90","","90","","1237.8","0.8","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C20 H32 Cl2 N12 Re2 -","- C20 H32 Cl2 N12 Re2 -","- C40 H64 Cl4 N24 Re4 -","2","0.125","","Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young","Tuning the Electrochemistry of Re26+ Species with Divergent Bicyclic Guanidinate Ligands and by Modification of Axial π Interactions","Inorganic Chemistry","2011","50","","1258","1264","10.1021/ic101890p","","","0.71073","MoKα","","0.0346","0.0244","","","0.0528","0.0607","","","","","","1.285","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4325036","14.2587","0.001","14.2587","0.001","25.8368","0.0018","90","","90","","90","","5252.9","0.6","250","1","250","1","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H44 I Pt2 S8 -","- C24 H29.3333 I Pt2 S8 -","- C144 H176 I6 Pt12 S48 -","6","0.375","","Minoru Mitsumi; Takami Yamashita; Yuko Aiga; Koshiro Toriumi; Hiroshi Kitagawa; Tadaoki Mitani; Mohamedally Kurmoo","On the Nature of the Multiple Ground States of the MMX Mixed-Valence Chain Compound, [PtII/III2(n-PenCS2)4I]\ιnfty","Inorganic Chemistry","2011","50","","4368","4377","10.1021/ic102461z","","","0.5633","synchrotron","","0.1007","0.0595","","","0.2456","0.2568","","","","","","1.151","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325037","14.2574","0.0014","14.2574","0.0014","25.8988","0.0018","90","","90","","90","","5264.5","0.8","270","1","270","1","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H44 I Pt2 S8 -","- C24 H29.3333 I Pt2 S8 -","- C144 H176 I6 Pt12 S48 -","6","0.375","","Minoru Mitsumi; Takami Yamashita; Yuko Aiga; Koshiro Toriumi; Hiroshi Kitagawa; Tadaoki Mitani; Mohamedally Kurmoo","On the Nature of the Multiple Ground States of the MMX Mixed-Valence Chain Compound, [PtII/III2(n-PenCS2)4I]\ιnfty","Inorganic Chemistry","2011","50","","4368","4377","10.1021/ic102461z","","","0.5633","synchrotron","","0.11","0.0741","","","0.3309","0.3442","","","","","","1.114","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325038","13.6271","0.0015","13.6271","0.0015","8.6043","0.0013","90","","90","","90","","1597.8","0.3","350","1","350","1","","","","","","","","5","I 4/m","-I 4","87","","","","- C20 H36 I Pt2 S8 -","- C20 H36 I Pt2 S8 -","- C40 H72 I2 Pt4 S16 -","2","0.125","","Minoru Mitsumi; Takami Yamashita; Yuko Aiga; Koshiro Toriumi; Hiroshi Kitagawa; Tadaoki Mitani; Mohamedally Kurmoo","On the Nature of the Multiple Ground States of the MMX Mixed-Valence Chain Compound, [PtII/III2(n-PenCS2)4I]\ιnfty","Inorganic Chemistry","2011","50","","4368","4377","10.1021/ic102461z","","","0.71069","MoKα","","0.0304","0.0244","","","0.055","0.0572","","","","","","1.1","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325118","14.5304","0.0007","14.5304","0.0007","8.7463","0.0014","90","","90","","90","","1846.6","0.3","123","2","123","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H64 Cr2 Na4 O4 -","- C24 H64 Cr2 Na4 O4 -","- C48 H128 Cr4 Na8 O8 -","2","0.125","","Ross Campbell; Luca M. Carrella; William Clegg; Robert E. Mulvey; Eva Rentschler; Stuart D. Robertson; Luca Russo","Sodium Congener of the Classical Lithium Methylchromate Dimer: Synthetic, X-ray Crystallographic, and Magnetic Studies of Me8Cr2[Na(OEt2)]4","Inorganic Chemistry","2011","50","","4656","4659","10.1021/ic200471b","","","0.71073","MoKα","","0.0602","0.0394","","","0.1025","0.1091","","","","","","0.926","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4327460","11.71","0.003","11.71","0.003","13.003","0.002","90","","90","","90","","1783","0.7","295","","295","","","","","","","","?","6","I 4/m","-I 4","87","","di(trans diaqua cobalt(II)) octacyanotungstate(IV)","","- C16 H32 Co4 N16 O16 W2 -","- C16 Co4 N16 O16 W2 -","- C32 Co8 N32 O32 W4 -","2","0.125","","Juan Manuel Herrera; Anne Bleuzen; Yves Dromzée; Miguel Julve; Francesc Lloret; Michel Verdaguer","Crystal Structures and Magnetic Properties of Two Octacyanotungstate(IV) and (V)-Cobalt(II) Three-Dimensional Bimetallic Frameworks","Inorganic Chemistry","2003","42","","7052","7059","10.1021/ic034188+","","","0.71069","MoKα","","","0.0223","","","0.0281","","","","","1.08","1.08","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4329396","13.328","0.005","13.328","0.005","9.624","0.005","90","0.005","90","0.005","90","0.005","1709.6","1.3","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C44 H28 Mo N4 O -","- C44 H28 Mo N4 O -","- C88 H56 Mo2 N8 O2 -","2","0.125","","Goutam Nandi; Sabyasachi Sarkar","Solid-State Synthesis of Molybdenum and Tungsten Porphyrins and Aerial Oxidation of Coordinated Benzenethiolate to Benzenesulfonate","Inorganic Chemistry","2012","51","","6412","6420","10.1021/ic3008377","","","0.71073","MoKα","","0.0613","0.06","","","0.1421","0.1428","","","","","","1.424","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4331295","15.8178","0.0014","15.8178","0.0014","24.962","0.003","90","","90","","90","","6245.6","1.1","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H82 As8 Na5 O53 Pd12 Sc -","- C48 H40 As8 O57.8 Pd12 Sc -","- C96 H80 As16 O115.6 Pd24 Sc2 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.0635","0.0467","","","0.1486","0.1594","","","","","","1.075","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331296","16.109","0.003","16.109","0.003","24.77","0.006","90","","90","","90","","6428","2","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H94 As8 Mn Na6 O59 Pd12 -","- C48 H40 As8 Mn O42 Pd12 -","- C96 H80 As16 Mn2 O84 Pd24 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.0989","0.0551","","","0.175","0.2015","","","","","","1.254","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331297","15.8607","0.0013","15.8607","0.0013","24.9466","0.0019","90","","90","","90","","6275.6","0.9","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H86 As8 Fe Na5 O55 Pd12 -","- C48 H40 As8 Fe O62.08 Pd12 -","- C96 H80 As16 Fe2 O124.16 Pd24 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.0866","0.0508","","","0.1538","0.1807","","","","","","0.991","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331298","15.9271","0.0004","15.9271","0.0004","25.1712","0.0019","90","","90","","90","","6385.2","0.5","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H92 As8 Co Na6 O58 Pd12 -","- C48 H40 As8 Co O58 Pd12 -","- C96 H80 As16 Co2 O116 Pd24 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.1015","0.0696","","","0.213","0.2321","","","","","","1.02","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331299","16.1657","0.0007","16.1657","0.0007","24.744","0.003","90","","90","","90","","6466.3","0.9","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H100 As8 Na6 Ni O62 Pd12 -","- C48 H40 As8 Ni O46 Pd12 -","- C96 H80 As16 Ni2 O92 Pd24 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.0843","0.0472","","","0.1509","0.1723","","","","","","1.023","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331300","15.8988","0.0005","15.8988","0.0005","25.1299","0.0011","90","","90","","90","","6352.1","0.4","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H78 As8 Cu Na6 O51 Pd12 -","- C48 H40 As8 Cu Na1.48 O56 Pd12 -","- C96 H80 As16 Cu2 Na2.96 O112 Pd24 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.0689","0.0549","","","0.1764","0.207","","","","","","1.093","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331301","15.8285","0.0011","15.8285","0.0011","25.034","0.002","90","","90","","90","","6272.1","0.8","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H114 As8 Na6 O69 Pd12 Zn -","- C48 H40 As8 Na2 O59 Pd12 Zn -","- C96 H80 As16 Na4 O118 Pd24 Zn2 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.1065","0.0674","","","0.1984","0.225","","","","","","1.328","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331302","15.928","0.003","15.928","0.003","24.313","0.005","90","","90","","90","","6168","2","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H110 Cu Na6 O67 P8 Pd12 -","- C48 H40 Cu Na1.2 O45 P8 Pd12 -","- C96 H80 Cu2 Na2.4 O90 P16 Pd24 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.1184","0.0774","","","0.2257","0.2624","","","","","","1.036","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331303","15.6887","0.0009","15.6887","0.0009","24.6896","0.0016","90","","90","","90","","6077","0.6","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H112 Na6 O68 P8 Pd12 Zn -","- C48 H40 O82.04 P8 Pd12 Zn -","- C96 H80 O164.08 P16 Pd24 Zn2 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.067","0.0472","","","0.1224","0.1332","","","","","","1.066","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331397","5.593","","5.593","","20.379","","90","","90","","90","","637.489","","","","","","","","","","","","","3","I 4/m","-I 4","87","","(Xe F5) (Ag F4)","","- Ag F9 Xe -","- Ag F9 Xe -","- Ag4 F36 Xe4 -","4","0.25","","Zemva, B.; Leban, I.; Jesih, A.; Bartlett, N.; Lutar, K.","Crystal Structures of Xe F5(+)MF4(-) (M=Ag,Au) and Their Relevance to the Basicity and Oxidizability of MF4(-)","Inorganic Chemistry","1989","28","","3467","3471","10.1021/ic00317a014","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331437","21.49319","","21.49319","","16.68979","","90","","90","","90","","7709.97","","","","","","","","","","","","","4","I 4/m","-I 4","87","","(H3 O)12 ((V O)12 (B16 O32 (O H)4)2) (H2 O)28","","- B32 H32 O84 V12 -","- B32 H32 O84 V12 -","- B64 H64 O168 V24 -","2","0.125","","Rose, D.J.; Haushalter, R.C.; Warren, C.J.; Zubieta, J.","A new transition metal - main group oxide cluster in the oxovanadium-borate system: hydrothermal synthesis and structure of (H3 O)12 ((V O)12 (B16 O32 (O H)4)2) . 28(H2 O)","Inorganic Chemistry","1998","37","","1140","1141","10.1021/ic971452o","","","","","","","","","","","","","","","","","","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331524","28.8679","0.001","28.8679","0.001","42.999","0.003","90","","90","","90","","35833","3","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","none","","","- C29 H29 Mo2 N O8 -","- C29 H27.3333 Mo2 N O8 -","- C696 H656 Mo48 N24 O192 -","24","1.5","","Ke, Yanxiong; Collins, David J.; Zhou, Hong-Cai","Synthesis and Structure of Cuboctahedral and Anticuboctahedral Cages Containing 12 Quadruply Bonded Dimolybdenum Units","Inorganic Chemistry","2005","44","12","4154","4156","10.1021/ic050460z","","","0.71073","MoKα","","0.0876","0.0659","","","0.1782","0.1923","","","","","","1.073","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331929","13.52","0.0009","13.52","","9.789","0.0007","90","","90","","90","","1789.34","0.17","173","2","173","2","","","","","","","","4","I 4/m","-I 4","87","05250","","","- C46 H29 Co N4 -","- C48 H30 Co N4 -","- C96 H60 Co2 N8 -","2","0.125","","Fritsch, Joseph M.; Retka, Noah D.; McNeill, Kristopher","Synthesis, Structure, and Unusual Reactivity of β-Halovinyl Cobalt Porphyrin Complexes","Inorganic Chemistry","2006","45","5","2288","2295","10.1021/ic0518834","","","0.71069","MoKα","","0.037","0.036","","","0.1126","0.1134","","","","","","1.254","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332490","9.592","0.004","9.592","0.004","15.475","0.011","90","","90","","90","","1423.8","1.3","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","Mo2(tbn)4Cl2","","","- C24 H40 Cl2 Mo2 N12 -","- C24 H40 Cl2 Mo2 N12 -","- C48 H80 Cl4 Mo4 N24 -","2","0.125","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates","Inorganic Chemistry","2006","45","14","5493","5500","10.1021/ic060449e","","","0.71073","MoKα","","0.0844","0.0619","","","0.1502","0.1595","","","","","","1.147","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4336645","3.889","0.0007","3.889","0.0007","32.56","0.006","90","","90","","90","","492.45","0.15","296","2","296","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Cl0.5 O3 Pb2.75 Si0.25 -","- Cl0.5 O3 Pb2.75 Si0.25 -","- Cl2 O12 Pb11 Si -","4","0.25","","Oleg I. Siidra; Diana O. Zinyakhina; Anastasiya I. Zadoya; Sergey V. Krivovichev; Rick W. Turner","Synthesis and Modular Structural Architectures of Mineralogically Inspired Novel Complex Pb Oxyhalides","Inorganic Chemistry","2013","52","","12799","12805","10.1021/ic402066h","","","0.71073","MoKα","","0.0541","0.0518","","","0.1391","0.1418","","","","","","1.177","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338122","10.0492","0.0003","10.0492","0.0003","3.14959","0.00013","90","","90","","90","","318.066","0.019","110","5","110","5","","","","","","","","3","I 4/m","-I 4","87","","","","- Ir4 K O8 -","- Ir4 K O8 -","- Ir8 K2 O16 -","2","0.125","","Talanov, Artem; Phelan, W. Adam; Kelly, Zachary A.; Siegler, Maxime A.; McQueen, Tyrel M.","Control of the Iridium Oxidation State in the Hollandite Iridate Solid Solution K1-xIr4O8.","Inorganic chemistry","2014","53","9","4500","4507","10.1021/ic5001667","","","0.71073","MoKα","","0.0237","0.0208","","","0.041","0.0418","","","","","","1.081","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338312","16.454","0.002","16.454","0.002","6.938","0.001","90","","90","","90","","1878.4","0.4","200","2","200","2","","","","","","","","6","I 4/m","-I 4","87","","Tetrammine(fluorido)nitrosyltechnetium(I) bifluoride x 1/2 RbF","","- F7 H26 N10 O2 Rb Tc2 -","- F7 H26 N10 O2 Rb Tc2 -","- F28 H104 N40 O8 Rb4 Tc8 -","4","0.25","","Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich","Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations.","Inorganic chemistry","2014","53","10","5117","5128","10.1021/ic500229r","","","0.71073","MoKα","","0.0922","0.0797","","","0.2114","0.2237","","","","","","1.071","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4341103","15.593","0.001","15.593","0.001","3.8282","0.0003","90","","90","","90","","930.79","0.11","","","","","","","","","","","","3","I 4/m","-I 4","87","","Niobium Phosphate","","- Nb18 O50 P2.5 -","- Nb18 O50 P2.5 -","- Nb18 O50 P2.5 -","1","0.0625","","Xu, J.; Chen, S.C.; Ramanujachary, K.V.; Greenblatt, M.","Synthesis, structure and physical properties of Nb18P2.5O50","Inorganic Chemistry","1994","33","","267","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341416","13.9774","0.0015","13.9774","0.0015","5.7846","0.0007","90","","90","","90","","1130.1","0.2","293","","293","","","","","","","","","4","I 4/m","-I 4","87","","","","- Bi8.729 K1.812 O24 P4 -","- Bi8.728 K1.8132 O24 P4 -","- Bi17.456 K3.6264 O48 P8 -","2","0.125","","Lü, Minfeng; Colmont, Marie; Huvé, Marielle; De Waele, Isabelle; Terryn, Christine; Aliev, Almaz; Mentré, Olivier","Investigation of New Alkali Bismuth Oxosulfates and Oxophosphates with Original Topologies of Oxo-Centered Units","Inorganic Chemistry","2014","","","141031160816001","","10.1021/ic501776h","","x-ray","0.71073","MoKα","","0.0776","0.07","","","0.0756","0.0786","","","","1.48","1.48","1.4","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4343240","7.53534","0.00008","7.53534","0.00008","4.6159","0.00006","90","","90","","90","","262.097","0.005","298","","298","","","","","","","","","3","I 4/m","-I 4","87","Sodium neptunate","Na4NpO5","","- Na4 Np O5 -","- Na4 Np O5 -","- Na8 Np2 O10 -","2","0.125","","Smith, Anna L.; Hen, Amir; Raison, Philippe E.; Colineau, Eric; Griveau, Jean-Christophe; Magnani, Nicola; Sanchez, Jean-Pierre; Konings, Rudy J. M.; Caciuffo, Roberto; Cheetham, Anthony K.","X-ray Diffraction, Mössbauer Spectroscopy, Magnetic Susceptibility, and Specific Heat Investigations of Na4NpO5 and Na5NpO6.","Inorganic chemistry","2015","54","9","4556","4564","10.1021/acs.inorgchem.5b00462","powder diffraction","","1.5406","CuKα","","","","","","","","","3.557","3.98178","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343881","7.7422","","7.7422","","17.7979","","90","","90","","90","","1066.84","","","","","","","","","","","","","4","I 4/m","-I 4","87","","La9 Rb Ir4 O24","","- Ir4 La9 O24 Rb -","- Ir4 La9 O24 Rb -","- Ir8 La18 O48 Rb2 -","2","0.125","","Mugavero, S.J.; Smith, M.D.; zur Loye, H.C.","La9 Rb Ir4 O24: A rubidium containing oxide with a new structure type","Inorganic Chemistry","2006","45","","946","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344306","7.65","","7.65","","10.94","","90","","90","","90","","640.236","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Xe F2 I F5","","- F7 I Xe -","- F7 I Xe -","- F28 I4 Xe4 -","4","0.25","","Jones, G.R.; Burbank, R.D.; Bartlett, N.","The Crystal Structure of the 1:1 Molecular Addition Compound Xenon Difluoride-Iodine Pentafluoride, Xe F2 I F5","Inorganic Chemistry","1970","9","","2264","2268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344313","6.338","","6.338","","4.113","","90","","90","","90","","165.22","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Li4 Rh H4","","- H4 Li4 Rh -","- H4 Li4 Rh -","- H8 Li8 Rh2 -","2","0.125","","Lundberg, L.B.; Cromer, D.T.; Magee, C.B.","Structure and Bonding of the Lithium Rhodium Hydrides Li4 Rh H4 and Li4 Rh H5","Inorganic Chemistry","1972","11","","400","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344934","11.6752","0.0006","11.6752","0.0006","12.8954","0.0004","90","","90","","90","","1757.78","0.14","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C8 H16 N8 Ni2 O8 W -","- C8 H16 N8 Ni2 O8 W -","- C32 H64 N32 Ni8 O32 W4 -","4","0.25","","Reczyński, Mateusz; Chorazy, Szymon; Nowicka, Beata; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Dehydration of Octacyanido-Bridged Ni(II)-W(IV) Framework toward Negative Thermal Expansion and Magneto-Colorimetric Switching.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b01883","","x-ray","0.71075","MoKα","","0.0199","0.0194","","","0.0331","0.0332","","","","","","1.464","","","","has coordinates","189532","2020-10-21","18:00:00",""
"4345214","12.605","0.002","12.605","0.002","13.626","0.003","90","","90","","90","","2165","0.7","296","2","296","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C48 H72 O81 Zr12 -","- C48 H72 O81 Zr12 -","- C48 H72 O81 Zr12 -","1","0.0625","","Hennig, Christoph; Weiss, Stephan; Kraus, Werner; Kretzschmar, Jerome; Scheinost, Andreas C.","Solution Species and Crystal Structure of Zr(IV) Acetate","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b01624","","","0.71073","MoKα","","0.068","0.0677","","","0.1783","0.1784","","","","","","1.08","","","","has coordinates","192171","2020-10-21","18:00:00",""
"4345850","19.054","0.007","19.054","0.007","32.418","0.012","90","","90","","90","","11770","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C120 H144 N48 O24 Pd8 -","- C120 H144 N48 O24 Pd8 -","- C240 H288 N96 O48 Pd16 -","2","0.125","","Bhat, Imtiyaz Ahmad; Jain, Ruchi; Siddiqui, Mujahuddin M.; Saini, Deepak K.; Mukherjee, Partha Sarathi","Water-Soluble Pd8L4 Self-assembled Molecular Barrel as an Aqueous Carrier for Hydrophobic Curcumin.","Inorganic chemistry","2017","56","9","5352","5360","10.1021/acs.inorgchem.7b00449","","","0.71073","MoKα","","0.105","0.0668","","","0.2132","0.2495","","","","","","0.947","","","","has coordinates","301840","2025-08-20","23:45:01",""
"4345993","17.9142","","17.9142","","31.5291","","90","","90","","90","","10118.3","","293","","293","","","","","","","","","4","I 4/m","-I 4","87","","","","- C80 H64 O32 Zr12.8 -","- C80 H64 O32 Zr12.8 -","- C160 H128 O64 Zr25.6 -","2","0.125","","Nateghi, Bahareh; Domasevitch, Kostiantyn V.; Bulánek, Roman; Janiak, Christoph; Boldog, Ishtvan","Ligand Excess ""Inverse-Defected"" Zr<sub>6</sub> Tetrahedral Tetracarboxylate Framework and Its Thermal Transformation.","Inorganic chemistry","2019","58","19","12786","12797","10.1021/acs.inorgchem.9b01721","powder diffraction","x-ray","1.54051","","","0.1553","0.1553","","0.2065","0.2065","","","","7.72","","","","","","","has coordinates","220621","2020-10-21","18:00:00",""
"4346180","19.366","0.005","19.366","0.005","19.977","0.005","90","","90","","90","","7492","3","90","2","90","0.5","","","","","","","","5","I 4/m","-I 4","87","tetrakis(5-methoxy-1,3-phenylenebis(acetylacetonato))diaquatetracopper chloroform-water solvate","","","- C80 H84 Cl36 Cu4 O30 -","- C80 H84 Cl36 Cu4 O30 -","- C160 H168 Cl72 Cu8 O60 -","2","0.125","","Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W.","Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares.","Inorganic chemistry","2015","54","16","7791","7802","10.1021/acs.inorgchem.5b00792","","","0.71073","MoKα","","0.1045","0.0949","","","0.262","0.2701","","","","","","1.057","","","","has coordinates,has disorder","231646","2020-10-21","18:00:00",""
"4346220","26.318","0.008","26.318","0.008","30.474","0.009","90","","90","","90","","21107","11","296","2","296","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C142 H91 Cl3 Mn13 N10 O62.5 -","- C142 H88 Cl3 Mn13 N10 O62.5 -","- C568 H352 Cl12 Mn52 N40 O250 -","4","0.25","","Liu, Bo; Wu, Wei-Ping; Hou, Lei; Li, Zhi-Sen; Wang, Yao-Yu","Two nanocage-based metal-organic frameworks with mixed-cluster SBUs and CO2 sorption selectivity.","Inorganic chemistry","2015","54","18","8937","8942","10.1021/acs.inorgchem.5b00987","","","0.71073","MoKα","","0.0783","0.0687","","","0.2077","0.2177","","","","","","1.137","","","","has coordinates","231665","2020-10-21","18:00:00",""
"4347506","14.906","0.0008","14.906","0.0008","52.534","0.003","90","","90","","90","","11672.5","1.1","123","2","123","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C172 H262 Mn8 N36 O44 W3 Y2 -","- C140 H182 Mn8 N32 O45 W3 Y2 -","- C280 H364 Mn16 N64 O90 W6 Y4 -","2","0.125","","Cao, Fan; Wei, Rong-Min; Li, Jing; Yang, Li; Han, Yuan; Song, You; Dou, Jian-Min","Ferromagnetic Polarization: The Quantum Picture of Switching On/Off Single-Molecule Magnetism.","Inorganic chemistry","2016","55","12","5914","5923","10.1021/acs.inorgchem.6b00255","","","0.71073","MoKα","","0.0644","0.0511","","","0.1591","0.1681","","","","","","1.043","","","","has coordinates,has disorder","232349","2020-10-21","18:00:00",""
"4347986","16.9087","0.0017","16.9087","0.0017","16.6617","0.0017","90","","90","","90","","4763.6","0.8","298","2","298","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C24 H84 Co4 N16 Nb10 O46 P V6 -","- C24 H84 Co4 N16 Nb10 O46 P V6 -","- C48 H168 Co8 N32 Nb20 O92 P2 V12 -","2","0.125","","Hu, Jufang; Wang, Yin; Zhang, Xinning; Chi, Yingnan; Yang, Song; Li, Jikun; Hu, Changwen","Controllable Assembly of Vanadium-Containing Polyoxoniobate-Based Three-Dimensional Organic-Inorganic Hybrid Compounds and Their Photocatalytic Properties.","Inorganic chemistry","2016","55","15","7501","7507","10.1021/acs.inorgchem.6b00823","","","0.71073","MoKα","","0.0611","0.0482","","","0.1329","0.1402","","","","","","0.996","","","","has coordinates","232616","2020-10-21","18:00:00",""
"4348281","15.181","0.005","15.181","0.005","23.369","0.005","90","0.005","90","0.005","90","0.005","5386","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H36 Cl Eu N6 O17 -","- C40 H32 Cl Eu N6 O17 -","- C160 H128 Cl4 Eu4 N24 O68 -","4","0.25","","Meng, Xing; Song, Shu-Yan; Song, Xue-Zhi; Zhu, Min; Zhao, Shu-Na; Wu, Lan-Lan; Zhang, Hong-Jie","A Eu/Tb-codoped coordination polymer luminescent thermometer","Inorg. Chem. Front.","2014","1","10","757","","10.1039/C4QI00122B","","","0.71069","MoKα","","0.0939","0.0683","","","0.2104","0.2326","","","","","","1.163","","","","has coordinates","232862","2020-10-21","18:00:00",""
"4348282","15.164","0.005","15.164","0.005","23.519","0.005","90","0.005","90","0.005","90","0.005","5408","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H36 Cl Gd N6 O17 -","- C40 H32 Cl Gd N6 O17 -","- C160 H128 Cl4 Gd4 N24 O68 -","4","0.25","","Meng, Xing; Song, Shu-Yan; Song, Xue-Zhi; Zhu, Min; Zhao, Shu-Na; Wu, Lan-Lan; Zhang, Hong-Jie","A Eu/Tb-codoped coordination polymer luminescent thermometer","Inorg. Chem. Front.","2014","1","10","757","","10.1039/C4QI00122B","","","0.71069","MoKα","","0.0964","0.0644","","","0.2054","0.2375","","","","","","1.036","","","","has coordinates","232862","2020-10-21","18:00:00",""
"4348283","15.16","0.005","15.16","0.005","23.388","0.005","90","0.005","90","0.005","90","0.005","5375","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H36 Cl N6 O17 Tb -","- C40 H32 Cl N6 O17 Tb -","- C160 H128 Cl4 N24 O68 Tb4 -","4","0.25","","Meng, Xing; Song, Shu-Yan; Song, Xue-Zhi; Zhu, Min; Zhao, Shu-Na; Wu, Lan-Lan; Zhang, Hong-Jie","A Eu/Tb-codoped coordination polymer luminescent thermometer","Inorg. Chem. Front.","2014","1","10","757","","10.1039/C4QI00122B","","","0.71069","MoKα","","0.1323","0.0731","","","0.2161","0.2638","","","","","","1.039","","","","has coordinates","232862","2020-10-21","18:00:00",""
"4348636","30.941","0.004","30.941","0.004","33.459","0.004","90","","90","","90","","32032","7","296","2","296","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C200 H392 Cr8 Cu8 I6 Mo48 N16 O192 -","- C200 H392 Cr8 Cu8 I6 Mo48 N16 O192 -","- C400 H784 Cr16 Cu16 I12 Mo96 N32 O384 -","2","0.125","","Li, Xin-Xiong; Ma, Xiang; Zheng, Wen-Xu; Qi, Yan-Jie; Zheng, Shou-Tian; Yang, Guo-Yu","Composite Hybrid Cluster Built from the Integration of Polyoxometalate and a Metal Halide Cluster: Synthetic Strategy, Structure, and Properties.","Inorganic chemistry","2016","55","17","8257","8259","10.1021/acs.inorgchem.6b01453","","","0.71073","MoKα","","0.0941","0.0739","","","0.2109","0.2287","","","","","","1.19","","","","has coordinates","233209","2020-10-21","18:00:00",""
"4349443","26.3611","0.0005","26.3611","0.0005","29.3615","0.0009","90","","90","","90","","20403.5","0.8","150","0.1","150","0.1","","","","","","","","7","I 4/m","-I 4","87","","","","- C50.88 H39.75 Co F12 N6 O1.62 P2 -","- C50.875 H39.75 Co F12 N6 O1.625 P2 -","- C814 H636 Co16 F192 N96 O26 P32 -","16","1","","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","","","0.71073","MoKα","","0.0973","0.0879","","","0.1764","0.1814","","","","","","1.192","","","","has coordinates,has disorder","233992","2020-10-21","18:00:00",""
"4349758","17.7506","0.0005","17.7506","0.0005","22.4863","0.0007","90","","90","","90","","7085.1","0.4","93","2","93","2","","","","","","","","7","I 4/m","-I 4","87","","VNU-17","","- C24 H8 I0 N0 O22.12 S2 Zr3 -","- C24 H8 O22.12 S2 Zr3 -","- C96 H32 O88.48 S8 Zr12 -","4","0.25","","Lo, Tien H. N.; Nguyen, My V.; Tu, Thach N.","An anchoring strategy leads to enhanced proton conductivity in a new metal‒organic framework","Inorganic Chemistry Frontiers","2017","4","9","1509","","10.1039/C7QI00350A","","","1.54178","CuKα","","0.1583","0.1196","","","0.2832","0.3062","","","","","","1.06","","","","has coordinates","235799","2020-10-21","18:00:00",""
"4349866","31.038","0.002","31.038","0.002","20.6449","0.0018","90","","90","","90","","19888","3","162.89","0.1","162.89","0.1","","","","","","","","4","I 4/m","-I 4","87","","","","- C50 H22 Cu3 O15 -","- C50 H22 Cu3 O15 -","- C400 H176 Cu24 O120 -","8","0.5","","Wang, Yutong; Fan, Weidong; Wang, Xia; Han, Yinfeng; Zhang, Liangliang; Liu, Di; Dai, Fangna; Sun, Daofeng","Solvent-induced framework-interpenetration isomers of Cu MOFs for efficient light hydrocarbon separation","Inorganic Chemistry Frontiers","2018","5","10","2408","","10.1039/C8QI00469B","","x-ray","1.54184","CuKα","","0.2211","0.1103","","","0.3025","0.3261","","","","","","0.865","","","","has coordinates","236902","2020-10-21","18:00:00",""
"4500792","11.2863","0.0016","11.2863","0.0016","50.133","0.01","90","","90","","90","","6386","1.8","223","2","223","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C61 H50 N10 Nd O16 -","- C61 H50.04 N10 Nd O16 -","- C244 H200.16 N40 Nd4 O64 -","4","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.1059","0.0822","","","0.1651","0.1782","","","","","","1.068","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500793","11.2815","0.0016","11.2815","0.0016","49.769","0.01","90","","90","","90","","6334.2","1.8","223","2","223","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C61 H50 Eu N10 O16 -","- C61 H50.04 Eu N10 O16 -","- C244 H200.16 Eu4 N40 O64 -","4","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.0978","0.0791","","","0.1966","0.2124","","","","","","1.097","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500794","11.3086","0.0016","11.3086","0.0016","49.019","0.01","90","","90","","90","","6268.8","1.8","223","2","223","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C61 H50 N10 O16 Yb -","- C61 H50.04 N10 O16 Yb -","- C244 H200.16 N40 O64 Yb4 -","4","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.0936","0.0771","","","0.1819","0.1935","","","","","","1.143","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500795","20.0403","0.0011","20.0403","0.0011","21.4606","0.0012","90","","90","","90","","8618.9","0.8","123","2","123","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C52 H40 I8 O14 Si8 -","- C48 H32 I8 O12 Si8 -","- C192 H128 I32 O48 Si32 -","4","0.25","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Halogen Bonding Motifs in Polyhedral Phenylsilsesquioxanes: Effects of Systematic Variations in Geometry or Substitution","Crystal Growth & Design","2011","11","10","4360","","10.1021/cg200312g","","","0.71073","MoKα","","0.0915","0.074","","","0.2186","0.2302","","","","","","1.134","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4502220","11.9761","0.0003","11.9761","0.0003","31.3992","0.0013","90","","90","","90","","4503.5","0.2","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H28 O29 Pr3 S4 -","- C28 H28 O28.9 Pr3 S4 -","- C112 H112 O115.6 Pr12 S16 -","4","0.25","","Gándara, Felipe; Gutiérrez-Puebla, Enrique; Iglesias, Marta; Snejko, Natalia; Monge, M. Ángeles","Isolated Hexanuclear Hydroxo Lanthanide Secondary Building Units in a Rare-Earth Polymeric Framework Based onp-Sulfonatocalix[4]arene","Crystal Growth & Design","2010","10","1","128","","10.1021/cg900704x","","","1.54178","CuKα","","0.0461","0.0399","","","0.1184","0.1203","","","","","","1.047","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502221","11.9612","0.0006","11.9612","0.0006","31.373","0.003","90","","90","","90","","4488.5","0.5","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H36 Nd3 O28.5 S4 -","- C28 H36 Nd3 O28.5 S4 -","- C112 H144 Nd12 O114 S16 -","4","0.25","","Gándara, Felipe; Gutiérrez-Puebla, Enrique; Iglesias, Marta; Snejko, Natalia; Monge, M. Ángeles","Isolated Hexanuclear Hydroxo Lanthanide Secondary Building Units in a Rare-Earth Polymeric Framework Based onp-Sulfonatocalix[4]arene","Crystal Growth & Design","2010","10","1","128","","10.1021/cg900704x","","","1.54178","CuKα","","0.2308","0.0991","","","0.1983","0.2359","","","","","","0.885","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502222","11.966","0.0012","11.966","0.0012","30.539","0.003","90","","90","","90","","4372.7","0.8","295","2","295","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H20 O28 S4 Yb3 -","- C28 H20 O28 S4 Yb3 -","- C112 H80 O112 S16 Yb12 -","4","0.25","","Gándara, Felipe; Gutiérrez-Puebla, Enrique; Iglesias, Marta; Snejko, Natalia; Monge, M. Ángeles","Isolated Hexanuclear Hydroxo Lanthanide Secondary Building Units in a Rare-Earth Polymeric Framework Based onp-Sulfonatocalix[4]arene","Crystal Growth & Design","2010","10","1","128","","10.1021/cg900704x","","","0.71073","MoKα","","0.1711","0.1551","","","0.2653","0.2795","","","","","","1.506","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4503887","20.0403","0.0011","20.0403","0.0011","21.4606","0.0012","90","","90","","90","","8618.9","0.8","123","2","123","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C52 H40 I8 O14 Si8 -","- C48 H32 I8 O12 Si8 -","- C192 H128 I32 O48 Si32 -","4","0.25","","Roll, Mark F.; Asuncion, Michael Z.; Kampf, Jeffrey; Laine, Richard M.","para-Octaiodophenylsilsesquioxane, [p-IC6H4SiO(1.5)]8, a nearly perfect nano-building block.","ACS nano","2008","2","2","320","326","10.1021/nn700196d","","","0.71073","MoKα","","0.0915","0.074","","","0.2186","0.2302","","","","","","1.134","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4504315","19.2576","0.0009","19.2576","0.0009","20.2861","0.0019","90","","90","","90","","7523.2","0.9","190","2","190","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C17 H26.02 N28 O8.87 Zn5 -","- C17 H26.02 N28 O8.87 Zn5 -","- C136 H208.16 N224 O70.96 Zn40 -","8","0.5","","Park, Hyunsoo; Krigsfeld, Gabriel; Teat, Simon J.; Parise, John B.","Synthesis and Structural Determination of Four Novel Metal−Organic Frameworks in a Zn−3-Amino-1,2,4-Triazole System","Crystal Growth & Design","2007","7","7","1343","","10.1021/cg070295t","","x-ray","0.7749","synchrotron","","0.0579","0.0492","","","0.1539","0.1627","","","","","","1.07","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504934","16.041","0.002","16.041","0.002","17.659","0.004","90","","90","","90","","4543.9","1.3","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C30 H42 Cl2 Co N4 O13 S4 -","- C30 H36 Cl2 Co N4 O13 S4 -","- C120 H144 Cl8 Co4 N16 O52 S16 -","4","0.25","","Xie, Ya-Bo; Li, Jian-Rong; Zhang, Chong; Bu, Xian-He","Syntheses and Crystal Structures of Manganese(II), Cadmium(II), Cobalt(II), and Zinc(II) Complexes with 4-Pyridyl Dithioether Ligands","Crystal Growth & Design","2005","5","5","1743","","10.1021/cg0496538","","","0.71073","MoKα","","0.1441","0.0976","","","0.2574","0.2848","","","","","","0.857","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4504935","15.97","0.003","15.97","0.003","17.523","0.006","90","","90","","90","","4469.1","1.9","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C30 H42 Cl2 N4 O13 S4 Zn -","- C30 H36 Cl2 N4 O13 S4 Zn -","- C120 H144 Cl8 N16 O52 S16 Zn4 -","4","0.25","","Xie, Ya-Bo; Li, Jian-Rong; Zhang, Chong; Bu, Xian-He","Syntheses and Crystal Structures of Manganese(II), Cadmium(II), Cobalt(II), and Zinc(II) Complexes with 4-Pyridyl Dithioether Ligands","Crystal Growth & Design","2005","5","5","1743","","10.1021/cg0496538","","","0.71073","MoKα","","0.1876","0.0899","","","0.2283","0.2748","","","","","","0.844","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4506591","9.831","0.011","9.831","","2.872","0.006","90","","90","","90","","277.6","0.7","25","","25","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ag1.15 Mn8 O16 -","- Ag1.15 Mn8 O16 -","- Ag1.15 Mn8 O16 -","1","0.0625","","Takeuchi, Kenneth J.; Yau, Shali Z.; Menard, Melissa C.; Marschilok, Amy C.; Takeuchi, Esther S.","Synthetic control of composition and crystallite size of silver hollandite, Ag(x)Mn8O16: impact on electrochemistry.","ACS applied materials & interfaces","2012","4","10","5547","5554","10.1021/am301443g","powder diffraction","x-ray","1.5406","","","","","","","","","0.13283","","1.39","","","","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506592","9.756","0.01","9.756","","2.858","0.006","90","","90","","90","","272","0.6","25","","25","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ag1.56 Mn8 O16 -","- Ag1.56 Mn8 O16 -","- Ag1.56 Mn8 O16 -","1","0.0625","","Takeuchi, Kenneth J.; Yau, Shali Z.; Menard, Melissa C.; Marschilok, Amy C.; Takeuchi, Esther S.","Synthetic control of composition and crystallite size of silver hollandite, Ag(x)Mn8O16: impact on electrochemistry.","ACS applied materials & interfaces","2012","4","10","5547","5554","10.1021/am301443g","powder diffraction","x-ray","1.5406","","","","","","","","","0.15335","","1.3","","","","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4507729","12.5223","0.0004","12.5223","0.0004","26.0224","0.001","90","","90","","90","","4080.5","0.2","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C12 H10 N8 O4 Zn2 -","- C12 H10 N8 O4 Zn2 -","- C96 H80 N64 O32 Zn16 -","8","0.5","","Chen, Kai-Jie; Lin, Rui-Biao; Liao, Pei-Qin; He, Chun-Ting; Lin, Jian-Bin; Xue, Wei; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","New Zn-Aminotriazolate-Dicarboxylate Frameworks: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2013","13","5","2118","","10.1021/cg400183s","","","0.71073","MoKα","","0.0617","0.0451","","","0.1323","0.1444","","","","","","1.065","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507730","13.2828","0.0005","13.2828","0.0005","26.6491","0.001","90","","90","","90","","4701.8","0.3","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C12 H12 N10 O4 Zn2 -","- C12 H12 N10 O4 Zn2 -","- C96 H96 N80 O32 Zn16 -","8","0.5","","Chen, Kai-Jie; Lin, Rui-Biao; Liao, Pei-Qin; He, Chun-Ting; Lin, Jian-Bin; Xue, Wei; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","New Zn-Aminotriazolate-Dicarboxylate Frameworks: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2013","13","5","2118","","10.1021/cg400183s","","","0.71073","MoKα","","0.0568","0.0504","","","0.1466","0.1503","","","","","","1.071","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4510216","27.934","0.002","27.934","0.002","41.081","0.004","90","","90","","90","","32056","5","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C35.08 H53.26 Cu3 N10 O27.55 S2.54 -","- C34.23 H12 Cu3 N10 O27.5071 S2.4835 -","- C547.68 H192 Cu48 N160 O440.114 S39.736 -","16","1","","Luebke, Ryan; Weseliński, Łukasz J.; Belmabkhout, Youssef; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Microporous Heptazine Functionalized (3,24)-Connectedrht-Metal‒Organic Framework: Synthesis, Structure, and Gas Sorption Analysis","Crystal Growth & Design","2014","14","2","414","","10.1021/cg401802s","","","1.54178","CuKα","","0.0848","0.0772","","","0.2283","0.2405","","","","","","1.076","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510743","26.0758","0.0016","26.0758","0.0016","19.354","0.0011","90","","90","","90","","13159.7","1.4","90","2","90","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C50 H28 Co2.25 N18 O15.5 W1.5 -","- C50 H28 Co2.25 N18 O15.5 W1.5 -","- C400 H224 Co18 N144 O124 W12 -","8","0.5","","Chorazy, Szymon; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Supramolecular Chains and Coordination Nanowires Constructed of High-Spin CoII9WV6Clusters and 4,4′-bpdo Linkers","Crystal Growth & Design","2013","13","7","3036","","10.1021/cg400448x","","","0.71075","MoKα","","0.0505","0.0402","","","0.0998","0.1047","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510744","26.516","0.0003","26.516","0.0003","19.445","0.0003","90","","90","","90","","13671.7","0.3","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C44 H24 Co2.25 N18 Na0 O8 W1.5 -","- C44 H30 Co2.25 N18 O10.23 W1.5 -","- C352 H240 Co18 N144 O81.84 W12 -","8","0.5","","Chorazy, Szymon; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Supramolecular Chains and Coordination Nanowires Constructed of High-Spin CoII9WV6Clusters and 4,4′-bpdo Linkers","Crystal Growth & Design","2013","13","7","3036","","10.1021/cg400448x","","","0.71073","MoKα","","0.0742","0.0511","","","0.1209","0.1379","","","","","","1.146","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4513653","13.4131","0.0008","13.4131","0.0008","12.342","0.003","90","","90","","90","","2220.5","0.6","150","2","150","2","","","","","","","","3","I 4/m","-I 4","87","","","","- C60 H38 N4 -","- C60 H38 N4 -","- C120 H76 N8 -","2","0.125","","Sheng, Ning; Zong, Shenfei; Cao, Wei; Jiang, Jianzhuang; Wang, Zhuyuan; Cui, Yiping","Water Dispersible and Biocompatible Porphyrin-Based Nanospheres for Biophotonics Applications: A Novel Surfactant and Polyelectrolyte-Based Fabrication Strategy for Modifying Hydrophobic Porphyrins.","ACS applied materials & interfaces","2015","7","35","19718","19725","10.1021/acsami.5b05256","","","1.54184","CuKα","","0.0981","0.0705","","","0.2002","0.2201","","","","","","1.077","","","","has coordinates","159573","2020-10-21","18:00:00",""
"4514180","34.23","","34.23","","48.409","0.006","90","","90","","90","","56720","7","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","Cr-3 cub","","","- C456 H576 Cr24 O120 Si24 -","- C456 H576 Cr24 O120 Si24 -","- C912 H1152 Cr48 O240 Si48 -","2","0.125","","Park, Jinhee; Perry, Zachary; Chen, Ying-Pin; Bae, Jaeyeon; Zhou, Hong-Cai","Chromium(II) Metal-Organic Polyhedra as Highly Porous Materials.","ACS applied materials & interfaces","2017","9","33","28064","28068","10.1021/acsami.7b09339","","","0.41328","Synchrotronat15-IDSecofArgonneNationalLab","","0.2126","0.1331","","","0.3081","0.3228","","","","","","1.003","","","","has coordinates","200218","2020-10-21","18:00:00",""
"4515195","28.7935","0.0002","28.7935","0.0002","21.0494","0.0003","90","","90","","90","","17451.3","0.3","253","2","253","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C66 H34 N12 Ni4 O3 -","- C66 H34 N12 Ni4 O3 -","- C264 H136 N48 Ni16 O12 -","4","0.25","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Bian, Zhen-Xing; Wu, Xue-Qian; Li, Jian-Rong","Single-Crystal Synthesis and Structures of Highly Stable Ni8-Pyrazolate-Based Metal‒Organic Frameworks","ACS Materials Letters","2019","1","1","20","","10.1021/acsmaterialslett.9b00021","","x-ray","1.54178","CuKα","","0.1208","0.1108","","","0.3317","0.3406","","","","","","1.062","","","","has coordinates,has disorder","220297","2020-10-21","18:00:00",""
"4517194","14.4847","0.0011","14.4847","0.0011","12.3555","0.0007","90","","90","","90","","2592.3","0.3","180","2","180.15","","","","","","","","","6","I 4/m","-I 4","87","","","","- Er Ge H6 K5 O42 W11 -","- Er Ge K4 O42 W11 -","- Er2 Ge2 K8 O84 W22 -","2","0.125","","Ibrahim, Masooma; Mbomekallé, Israël M; de Oliveira, Pedro; Baksi, Ananya; Carter, Anthony B.; Peng, Yan; Bergfeldt, Thomas; Malik, Sharali; Anson, Christopher E.","Syntheses, Crystal Structure, Electrocatalytic, and Magnetic Properties of the Monolanthanide-Containing Germanotungstates [Ln(H<sub>2</sub>O) <i> <sub>n</sub> </i> GeW<sub>11</sub>O<sub>39</sub>]<sup>5-</sup> (Ln = Dy, Er, <i>n</i> = 4,3).","ACS omega","2019","4","26","21873","21882","10.1021/acsomega.9b02846","","","0.71073","MoKα","","0.0614","0.045","","","0.1224","0.132","","","","","","1.116","","","","has coordinates,has disorder","288264","2023-12-12","21:08:33",""
"4517195","14.48","0.002","14.48","0.002","12.391","0.003","90","","90","","90","","2598","0.8","180","2","180","2","","","","","","","","6","I 4/m","-I 4","87","","","","- Dy Ge H8 K5 O43 W11 -","- Dy Ge K4 O43 W11 -","- Dy2 Ge2 K8 O86 W22 -","2","0.125","","Ibrahim, Masooma; Mbomekallé, Israël M; de Oliveira, Pedro; Baksi, Ananya; Carter, Anthony B.; Peng, Yan; Bergfeldt, Thomas; Malik, Sharali; Anson, Christopher E.","Syntheses, Crystal Structure, Electrocatalytic, and Magnetic Properties of the Monolanthanide-Containing Germanotungstates [Ln(H<sub>2</sub>O) <i> <sub>n</sub> </i> GeW<sub>11</sub>O<sub>39</sub>]<sup>5-</sup> (Ln = Dy, Er, <i>n</i> = 4,3).","ACS omega","2019","4","26","21873","21882","10.1021/acsomega.9b02846","","","0.71073","MoKα","","0.0704","0.0459","","","0.1214","0.134","","","","","","1.03","","","","has coordinates,has disorder","246538","2020-10-21","18:00:00",""
"5910189","9.639","","9.639","","6.785","","90","","90","","90","","630.397","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Cs F13 Sb4 -","- Cs2 F26 Sb8 -","- Cs2 F26 Sb8 -","","","","Wyckoff, R. W. G.","Page 489 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","489","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910267","9.635","","9.635","","6.563","","90","","90","","90","","609.264","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- F13 Rb Sb4 -","- F26 Rb2 Sb8 -","- F26 Rb2 Sb8 -","","","","Wyckoff, R. W. G.","Page 489 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","489","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910285","9.636","","9.636","","6.365","","90","","90","","90","","591.006","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- F13 K Sb4 -","- F26 K2 Sb8 -","- F26 K2 Sb8 -","","","","Wyckoff, R. W. G.","Page 489 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","489","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910319","9.637","","9.637","","6.584","","90","","90","","90","","611.468","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- F13 Sb4 Tl -","- F26 Sb8 Tl2 -","- F26 Sb8 Tl2 -","","","","Wyckoff, R. W. G.","Page 489 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","489","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000047","10.3059","0.0012","10.3059","0.0012","3.6372","0.0005","90","","90","","90","","386.31","0.08","295","2","295","2","","","","","","","","3","I 4/m","-I 4","87","","niobium palladium phosphide","","- Nb5 P4 Pd4 -","- Nb5 P4 Pd4 -","- Nb10 P8 Pd8 -","2","0.125","","Meitian Wang; Robert McDonald; Arthur Mar","Ternary early-transition-metal palladium pnictides Zr3Pd4P3, Hf3Pd4P3, HfPdSb, and Nb5Pd4P4","Inorganic Chemistry","2000","39","","4936","4941","10.1021/ic0006551","","","0.71073","MoKα","","0.0703","0.0386","","","0.0638","0.0701","","","","","","0.879","","","","has coordinates","176292","2020-10-21","18:00:00",""
"6000174","11.803","0.003","11.803","0.003","10.814","0.005","90","","90","","90","","1506.5","0.9","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Cs5 Hg19 -","- Cs5 Hg19 -","- Cs10 Hg38 -","2","0.125","","Todorov, E.; Sevov, S. C.","Synthesis and structure of the alkali-metal amalgams A(3)Hg(20) (A = Rb, Cs), K3Hg11, Cs5Hg19, and A(7)Hg(31) (A = K, Rb)","Journal of Solid State Chemistry","2000","149","","419","427","10.1006/jssc.1999.8569","","","","","","","","","0.1576","0.1381","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000506","14.234","","14.234","","7.289","","90","","90","","90","","1476.8","","","","","","","","","","","","","3","I 4/m","","","","","","- F19 Sr5 V3 -","","","","","","Dahlke, P.; Graulich, J.; Welsch, M.; Pebler, J.; Babel, D.","Structural and magnetochemical studies of Ba5Mn3F19 and related compounds A(5)(II)M(3)(III)F(19)","Zeitschrift Fur Anorganische Und Allgemeine Chemie","2000","626","","1255","1263","10.1002/(SICI)1521-3749(200005)626:5<1255::AID-ZAAC1255>3.0.CO;2-J","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000507","14.235","","14.235","","7.281","","90","","90","","90","","1475.39","","","","","","","","","","","","","3","I 4/m","","","","","","- Cr3 F19 Sr5 -","","","","","","Dahlke, P.; Graulich, J.; Welsch, M.; Pebler, J.; Babel, D.","Structural and magnetochemical studies of Ba5Mn3F19 and related compounds A(5)(II)M(3)(III)F(19)","Zeitschrift Fur Anorganische Und Allgemeine Chemie","2000","626","","1255","1263","10.1002/(SICI)1521-3749(200005)626:5<1255::AID-ZAAC1255>3.0.CO;2-J","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000509","14.835","","14.835","","7.667","","90","","90","","90","","1687.33","","","","","","","","","","","","","3","I 4/m","","","","","","- Ba5 F19 Fe3 -","","","","","","Dahlke, P.; Graulich, J.; Welsch, M.; Pebler, J.; Babel, D.","Structural and magnetochemical studies of Ba5Mn3F19 and related compounds A(5)(II)M(3)(III)F(19)","Zeitschrift Fur Anorganische Und Allgemeine Chemie","2000","626","","1255","1263","10.1002/(SICI)1521-3749(200005)626:5<1255::AID-ZAAC1255>3.0.CO;2-J","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000510","14.66","","14.66","","7.601","","90","","90","","90","","1633.57","","","","","","","","","","","","","3","I 4/m","","","","","","- Ba5 F19 Ga3 -","","","","","","Dahlke, P.; Graulich, J.; Welsch, M.; Pebler, J.; Babel, D.","Structural and magnetochemical studies of Ba5Mn3F19 and related compounds A(5)(II)M(3)(III)F(19)","Zeitschrift Fur Anorganische Und Allgemeine Chemie","2000","626","","1255","1263","10.1002/(SICI)1521-3749(200005)626:5<1255::AID-ZAAC1255>3.0.CO;2-J","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000702","9.4729","","9.4729","","3.2414","","90","","90","","90","","290.87","","","","","","","","","","","","","3","I 4/m","","","","","","- As2.5 P1.5 W5 -","","","","","","Charki, F.; Deputier, S.; Benardrocherulle, P.; Guerin, R.; Elghadraoui, E. H.","W5As2.5P1.5: The first one-dimensional vertex-linked W-6 cluster","Journal of Solid State Chemistry","1997","131","","310","316","10.1006/jssc.1997.7386","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000712","14.631","0.002","14.631","0.002","6.662","0.001","90","","90","","90","","1426.11","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","","- Cl H4 O6 P U -","- Cl H4 O6 P U -","- Cl8 H32 O48 P8 U8 -","8","0.5","","Benardrocherulle, P.; Louer, M.; Louer, D.; Dacheux, N.; Brandel, V.; Genet, M.","Structure determination of uranium halogenide phosphates UXPO4 .2H(2)O (X = Cl, Br) from powder diffraction data","Journal of Solid State Chemistry","1997","132","","315","322","10.1006/jssc.1997.7466","powder diffraction","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:06:00",""
"6000713","14.748","0.0007","14.748","0.0007","6.681","0.0004","90","","90","","90","","1453.14","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","","- Br H4 O6 P U -","- Br H4 O6 P U -","- Br8 H32 O48 P8 U8 -","8","0.5","","Benardrocherulle, P.; Louer, M.; Louer, D.; Dacheux, N.; Brandel, V.; Genet, M.","Structure determination of uranium halogenide phosphates UXPO4 .2H(2)O (X = Cl, Br) from powder diffraction data","Journal of Solid State Chemistry","1997","132","","315","322","10.1006/jssc.1997.7466","powder diffraction","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:06:00",""
"7001784","12.2751","0.0003","12.2751","0.0003","27.809","0.001","90","","90","","90","","4190.2","0.2","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C45 H10 F20 N4 Pt -","- C45 H10 F20 N4 Pt -","- C180 H40 F80 N16 Pt4 -","4","0.25","","Won, Dong-Hoon; Toganoh, Motoki; Uno, Hidemitsu; Furuta, Hiroyuki","Pt(II) N-confused porphyrin: An expanded pyrrole that affords a stable π-anion","Dalton Transactions","2009","","31","6151","","10.1039/b906018a","","","0.7107","MoKα","","0.0908","0.0842","","","0.1655","0.1683","","","","","","1.241","","","","has coordinates,has disorder","301846","2025-08-21","10:44:10",""
"7002274","11.989","0.005","11.989","0.005","13.237","0.005","90","","90","","90","","1902.6","1.3","293","2","293","2","","","","","","","synthesis as described","6","I 4/m","-I 4","87","dpx","","","- C32 H64 Fe8 N32 Nb4 O32 -","- C32 H64 Fe8 N32 Nb4 O32 -","- C32 H64 Fe8 N32 Nb4 O32 -","1","0.0625","","Pinkowicz, Dawid; Podgajny, Robert; Pełka, Robert; Nitek, Wojciech; Bałanda, Maria; Makarewicz, Magdalena; Czapla, Mariusz; Żukrowski, Jan; Kapusta, Czesław; Zając, Dariusz; Sieklucka, Barbara","Iron(II)-octacyanoniobate(IV) ferromagnet with TC 43 K","Dalton Transactions","2009","","37","7771","7777","10.1039/b908486j","","x-ray","0.71069","MoKα","","0.0341","0.0275","","","0.0599","0.0618","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7003214","29.0731","0.0007","29.0731","0.0007","10.5212","0.0005","90","","90","","90","","8893","0.5","293","2","293","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C24 H180 Fe8 K4 N24 O186 P4 W40 -","- Fe8 K4 O168 P4 W40 -","- Fe16 K8 O336 P8 W80 -","2","0.125","","Pichon, Céline; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Rivière, Eric; Sécheresse, Francis","Square versus tetrahedral iron clusters with polyoxometalate ligands","Dalton Transactions","2008","","1","71","","10.1039/b714377j","","","0.71073","MoKα","","0.1076","0.0649","","","0.2023","0.2243","","","","","","1.139","","","","has coordinates","179736","2020-10-21","18:00:00",""
"7007660","10.0675","0.0015","10.0675","0.0015","15.797","0.005","90","","90","","90","","1601.1","0.6","213","2","213","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H48 Cl2 Mo2 N12 -","- C28 H48 Cl2 Mo2 N12 -","- C56 H96 Cl4 Mo4 N24 -","2","0.125","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4623","4631","10.1039/b608422b","","","0.71073","MoKα","","0.0502","0.0366","","","0.0763","0.0825","","","","","","1.159","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7008640","10.6494","0.0016","10.6494","0.0016","18.205","0.004","90","","90","","90","","2064.6","0.6","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C24 H60 B2 F8 O12 P4 Pt -","- C24 H60 B2 F8 O12 P4 Pt -","- C48 H120 B4 F16 O24 P8 Pt2 -","2","0.125","","Albertin, Gabriele; Antoniutti, Stefano; Busato, Christian; Castro, Jesús; Garcia-Fontán, Soledad","Preparation and reactivity of penta- and tetracoordinate platinum(II) hydride complexes with P(OEt)3 and PPh(OEt)2 phosphite ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2641","2649","10.1039/b505453b","","","0.71073","MoKα","","0.0344","0.0342","","","0.0838","0.0839","","","","","","1.056","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7009027","9.0951","0.0007","9.0951","0.0007","11.1941","0.0015","90","","90","","90","","925.99","0.16","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","trans dichloro tetrakis(dimethylsulfoxide) osmium(II)","","- C8 H24 Cl2 O4 Os S4 -","- C8 H24 Cl2 O4 Os S4 -","- C16 H48 Cl4 O8 Os2 S8 -","2","0.125","","da Silva, M. Fátima C. Guedes; Pombeiro, Armando J. L.; Geremia, Silvano; Zangrando, Ennio; Calligaris, Mario; Zinchenko, Andrey V.; Kukushkin, Vadim Yu.","Unusual pathways for the reaction between [MCl2(Me2SO)4] (M = Os, Ru) and hydrazine dihydrochloride: deoxygenation of sulfoxides vs. coordination of hydrazinium","Journal of the Chemical Society, Dalton Transactions","2000","","8","1363","","10.1039/a908170d","","","0.71073","MoKα","","0.0163","0.0163","","0.0433","0.0433","","","","1.126","1.126","1.126","","","","","has coordinates,has disorder","301846","2025-08-21","10:44:16",""
"7009094","13.125","0.002","13.125","0.002","19.049","0.003","90","","90","","90","","3281.5","0.9","293","1","293","1","","","","","","","","6","I 4/m","-I 4","87","","Chloro(N1,N1,N4,N7,N7-pentamethyldiethylenetriamine)platinum(II) perchlorate","","- C9 H23 Cl2 N3 O4 Pt -","- C9 H24 Cl2 N3 O4 Pt -","- C72 H192 Cl16 N24 O32 Pt8 -","8","0.5","","Michelle L. Styles; Richard A. J. O'Hair; W. David McFadyen; Lily Tannous; Rodney J. Holmes; Robert W. Gable","Formation and gas phase fragmentation reactions of ligand substitution products of platinum(II) complexes via electrospray ionization tandem mass spectrometry","J. Chem. Soc., Dalton Trans.","2000","","1","93","100","10.1039/a908536j","","","0.71073","MoKα","","0.0405","0.0339","","","0.0896","0.0927","","","","","","1.047","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7010530","18.6162","0.0011","18.6162","0.0011","16.184","0.0013","90","","90","","90","","5608.8","0.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H96 Cl4 Cu2 N16 O16 -","- C100 H96 Cl4.06 Cu2 N16 O16 -","- C200 H192 Cl8.12 Cu4 N32 O32 -","2","0.125","","Su, Cheng-Yong; Cai, Yue-Peng; Chen, Chun-Long; Zhang, Hua-Xin; Kang, Bei-Sheng","Coordination-directed assembly of trigonal and tetragonal molecular boxes encapsulating anionic guests †","Journal of the Chemical Society, Dalton Transactions","2001","","4","359","","10.1039/b010118o","","","0.71073","MoKα","","0.1166","0.107","","","0.2353","0.2392","","","","","","1.136","","","","has coordinates","179809","2020-10-21","18:00:00",""
"7010785","20.566","0.007","20.566","","12.563","0.007","90","","90","","90","","5314","3","293","2","293","2","","","","","","","synthesized by the authors, see text","7","I 4/m","-I 4","87","","","","- C15.6 H32.8 Cl3.8 N4 O0.8 P2 Re -","- C12 H25 Cl3 N4 P2 Re -","- C96 H200 Cl24 N32 P16 Re8 -","8","0.5","","Fortin, Sébastien; Fabre, Paul-Louis; Dartiguenave, Michèle; Beauchamp, André L.","Neutral and cationic biimidazoledihalogenobis(trimethylphosphine)rhenium(iii) complexes: ion-pairing, acid‒base and redox propertiesElectronic supplementary information (ESI) available: details of the structure determination and refinement for compounds 4, 5, 7 and 9·OPPh3. See http://www.rsc.org/suppdata/dt/b1/b103719f/","Journal of the Chemical Society, Dalton Transactions","2001","","23","3520","","10.1039/b103719f","","","1.54178","CuKα","","0.0557","0.0413","","0.1239","","0.1204","","","0.937","","","1.119","","","","has coordinates,has disorder","179811","2020-10-21","18:00:00",""
"7011351","18.996","0.003","18.996","0.003","13.031","0.003","90","","90","","90","","4702.2","1.5","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","bis(cyclopentadienyl)bis(iododimethylsilyl)hydrido niobium(V)","","- C14 H23 I2 Nb Si2 -","- C16.25 H23 I2 Nb Si2 -","- C130 H184 I16 Nb8 Si16 -","8","0.5","","Nikonov, Georgii I.; Kuzmina, Lyudmila G.; Howard, Judith A. K.","Niobocene hydrides with functionalised silyl ligands. Tuning of interligand hypervalent interactions (IHI) M‒H →Si‒X","Journal of the Chemical Society, Dalton Transactions","2002","","15","3037","","10.1039/b110998g","","","0.71073","MoKα","","0.0736","0.056","","0.1758","0.1658","","","","1.115","1.19","1.19","","","","","has coordinates","179817","2020-10-21","18:00:00",""
"7013269","13.627","0.002","13.627","0.002","24.662","0.005","90","","90","","90","","4579.6","1.3","110","1","110","1","","","","","","","","3","I 4/m","-I 4","87","C60*2TBPD*TDAE","","","- C138 H88 N8 -","- C138 H88 N8 -","- C276 H176 N16 -","2","0.125","","Konarev, Dmitri V.; Neretin, Ivan S.; Saito, Gunzi; Slovokhotov, Yury L.; Otsuka, Akihiro; Lyubovskaya, Rimma N.","Ionic multi-component complexes containing TDAE?+ and C60?? radical ions and neutral D1 molecules: D1?TDAE?C60","Dalton Transactions","2003","","20","3886","","10.1039/b306074h","","","0.71073","MoKα","","0.1476","0.1002","","0.33","0.2839","","","","1.04","1.248","1.248","","","","","has coordinates","179836","2020-10-21","18:00:00",""
"7013514","15.762","0.004","15.762","0.004","11.375","0.004","90","","90","","90","","2826","1.4","299","2","299","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C8 H58 N4 O30 S8 W9 -","- C8 H32 N4 O30 S8 W9 -","- C16 H64 N8 O60 S16 W18 -","2","0.125","","Miras, Haralampos N.; Derek Woollins, J.; Slawin, Alexandra M.; Raptis, Raphael; Baran, Peter; Kabanos, Themistoklis A.","A novel polyoxo(thio)molybdenum(V) sulfite compound: Synthesis and crystal structure of {[Mo2V(�-S)2O2]6(�3-SO3)4(�-SO3)12}20? anion","Dalton Transactions","2003","","19","3668","","10.1039/b309473c","","","0.71073","MoKα","","0.0323","0.0281","","","0.0797","0.0823","","","","","","1.069","","","","has coordinates","179839","2020-10-21","18:00:00",""
"7020465","13.3146","0.001","13.3146","0.001","15.876","0.003","90","","90","","90","","2814.5","0.6","150","2","150","2","","","","","","","","4","I 4/m","-I 4","87","","","","- H40 Na O66 V19 -","- H40 Na O66 V19 -","- H80 Na2 O132 V38 -","2","0.125","","Zhang, Lili; Zhang, Hengchao; Zhang, Weisong; Gong, Jingjing; Hu, Hailiang; Yang, Yanan; Liu, Yang; Kang, Zhenhui","Water-capsule strategy in crystal engineering for water-solubility conversion from insoluble to soluble.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13277","13279","10.1039/c2dt31636f","","","0.71073","MoKα","","0.0606","0.0586","","","0.1575","0.1592","","","","","","1.114","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020945","26.922","0.012","26.922","0.012","15.467","0.005","90","","90","","90","","11210","8","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C84 H80 Fe2 N20 O12 Pd4 -","- C84 H80 Fe2 N20 O12 Pd4 -","- C336 H320 Fe8 N80 O48 Pd16 -","4","0.25","","Yao, Liao-Yuan; Yu, Zheng-Su; Qin, Lin; Li, Yi-Zhi; Qin, Yu; Yu, Shu-Yan","Self-assembly of metallomacrocycles with dipyrazole ligands and anion sensing of [Pd4Fe2] macrocycle with ferrocene-based dipyrazole ligand","Dalton Transactions","2013","42","10","3447","","10.1039/c2dt32576d","","","0.71073","MoKα","","0.0737","0.0413","","","0.0766","0.0833","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021231","34.056","0.003","34.056","0.003","40.022","0.004","90","","90","","90","","46418","7","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C64 K16 Na28 O668 P64 U64 -","- C64 K16 Na26.4 O590 P64 U64 -","- C128 K32 Na52.8 O1180 P128 U128 -","2","0.125","","Liao, Zuolei; Ling, Jie; Reinke, Laura R.; Szymanowski, Jennifer E. S.; Sigmon, Ginger E.; Burns, Peter C.","Cage clusters built from uranyl ions bridged through peroxo and 1-hydroxyethane-1,1-diphosphonic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6793","6802","10.1039/c3dt33025g","","","0.71073","MoKα","","0.118","0.0877","","","0.2318","0.2754","","","","","","1.099","","","","has coordinates","291143","2024-04-09","08:48:22",""
"7025428","19.4815","0.0003","19.4815","0.0003","20.9445","0.0004","90","","90","","90","","7949","0.2","173","2","173","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C74 H92 O18 Si8 -","- C56 H56 O12 Si8 -","- C224 H224 O48 Si32 -","4","0.25","","Zakharov, Alexander V.; Masters, Sarah L.; Wann, Derek A.; Shlykov, Sergei A.; Girichev, Georgiy V.; Arrowsmith, Sophie; Cordes, David B.; Lickiss, Paul D.; White, Andrew J. P.","The gas-phase structure of octaphenyloctasilsesquioxane Si8O12Ph8 and the crystal structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","6960","6966","10.1039/c000664e","","","1.54184","CuKα","","0.0844","0.0626","","","0.1699","0.1813","","","","","","1.015","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7025917","9.9415","0.0005","9.9415","0.0005","10.8281","0.0005","90","","90","","90","","1070.18","0.09","183","2","183","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H32 Cl2 Ru S4 -","- C16 H32 Cl2 Ru S4 -","- C32 H64 Cl4 Ru2 S8 -","2","0.125","","Maiti, Biplab K.; Görls, Helmar; Klobes, Olaf; Imhof, Wolfgang","A straightforward and generalizable synthetic methodology for the synthesis of ruthenium(II) complexes with thioether ligands from either Ru(III) or Ru(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2010","39","24","5713","5720","10.1039/c0dt00051e","","","0.71073","MoKα","","0.0329","0.0244","","","0.0606","0.0616","","","","","","2.376","","","","has coordinates,has disorder","179965","2020-10-21","18:00:00",""
"7026219","14.0908","0.0008","14.0908","0.0008","16.6137","0.0014","90","","90","","90","","3298.7","0.4","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C50 H98 Co4 O19 Ti2 -","- C50 H76 Co4 O19 Ti2 -","- C100 H152 Co8 O38 Ti4 -","2","0.125","","Seisenbaeva, Gulaim A.; Mallah, Talal; Kessler, Vadim G.","Highly symmetric organic ligand-capped Lindqvist structures derived from 3d-elements.","Dalton transactions (Cambridge, England : 2003)","2010","39","33","7774","7779","10.1039/c0dt00275e","","","0.71073","MoKα","","0.0624","0.0357","","","0.1033","0.1104","","","","","","0.984","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7029025","14.203","0.002","14.203","0.002","7.6293","0.0013","90","","90","","90","","1539","0.4","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C32 H32 Br N4 O4 Ru2 -","- C32 H32 Br N4 O4 Ru2 -","- C64 H64 Br2 N8 O8 Ru4 -","2","0.125","","Delgado-Martínez, Patricia; González-Prieto, Rodrigo; Gómez-García, Carlos J; Jiménez-Aparicio, Reyes; Priego, José L; Torres, M. Rosario","Structural, magnetic and electrical properties of one-dimensional tetraamidatodiruthenium compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3227","3237","10.1039/c3dt52727a","","","0.71073","MoKα","","0.0379","0.0323","","","0.095","0.1023","","","","","","0.992","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7030121","25.7557","0.0017","25.7557","0.0017","22.031","0.002","90","","90","","90","","14614.4","1.9","296","2","296","2","","","","","","","","8","I 4/m","-I 4","87","","","","- H122 K4 Li10 Mo2 Na24 O249 P8 W48 -","- K4 Mo2 Na10 O202 P8 W48 -","- K8 Mo4 Na20 O404 P16 W96 -","2","0.125","","Liu, Zhu-Jun; Zhang, Zhi-Ming; Fu, Hai; Li, Yang-Guang; Chen, Wei-Lin; Wu, Hai-Hong; Wang, En-Bo","Two wheel-like polytungstates obtained by incorporation of two {Cu4} clusters and two molybdenum centers in the {W48} wheel.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11700","11705","10.1039/c2dt30742a","","","0.71073","MoKα","","0.0597","0.0402","","","0.1063","0.1115","","","","","","1.018","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7032638","18.573","0.016","18.573","0.016","31.35","0.05","90","","90","","90","","10814","2","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C20 H22 Cl Co N6 O7 S4 -","- C18 H12 Cl Co N6 O4 S4 -","- C288 H192 Cl16 Co16 N96 O64 S64 -","16","1","","Zhu, Hai-Bin; Wu, Yan-Fang; Zhao, Yue; Hu, Jun","Unprecedented metal-mediated in situ reactions of heterocyclic disulfide of di[4-(pyridin-2-yl)pyrimidinyl]disulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17156","17162","10.1039/c4dt02322f","","","0.71073","MoKα","","0.1386","0.1186","","","0.2553","0.2626","","","","","","1.187","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7033313","13.518","0.005","13.518","0.005","26.42","0.005","90","0.005","90","0.005","90","0.005","4828","3","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C10.5 H6 N6 O4.5 S Zn2 -","- C10.5 H6 N6 O4.5 S Zn2 -","- C84 H48 N48 O36 S8 Zn16 -","8","0.5","","Liu, Fu-Hong; Qin, Chao; Ding, Yan; Wu, Han; Shao, Kui-Zhan; Su, Zhong-Min","Pillared metal organic frameworks for the luminescence sensing of small molecules and metal ions in aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1754","1760","10.1039/c4dt02961e","","","0.71073","MoKα","","0.0803","0.0691","","","0.1709","0.1758","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034710","15.228","0.003","15.228","0.003","28.791","0.005","90","","90","","90","","6676","2","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","Zr-TCPS","","- C28 H16 O16 Si Zr3 -","- C28 H16 O16 Si Zr3 -","- C112 H64 O64 Si4 Zr12 -","4","0.25","","Wang, Shufen; Wang, Jingjing; Cheng, Weiwei; Yang, Xiaowei; Zhang, Zaiyong; Xu, Yan; Liu, Hongke; Wu, Yong; Fang, Min","A Zr metal-organic framework based on tetrakis(4-carboxyphenyl) silane and factors affecting the hydrothermal stability of Zr-MOFs.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8049","8061","10.1039/c5dt00421g","","","0.71073","MoKα","","0.0385","0.0343","","","0.109","0.1114","","","","","","1.165","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7035735","40.533","0.01","40.533","0.01","64.804","0.016","90","","90","","90","","106468","5","120","2","120","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C1104 H1818 Co24 N162 O282 S24 -","- C600 H486 Co24 O126 S24 -","- C1200 H972 Co48 O252 S48 -","2","0.125","","Du, Shangchao; Yu, Tang-Qing; Liao, Wuping; Hu, Chunhua","Structure modeling, synthesis and X-ray diffraction determination of an extra-large calixarene-based coordination cage and its application in drug delivery.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14394","14402","10.1039/c5dt01526j","","","0.71073","MoKα","","0.1068","0.0893","","","0.2632","0.2875","","","","","","1.318","","","","has coordinates","153233","2020-10-21","18:00:00",""
"7036774","25.4151","0.0003","25.4151","0.0003","21.7748","0.0004","90","","90","","90","","14064.9","0.3","120","0.1","120","0.1","","","","","","","","8","I 4/m","-I 4","87","","","","- Cl8 H100 K14.5 Li17.5 O234 P8 Sn8 W48 -","- Cl8 K14.5 O219.08 P8 Sn8 W48 -","- Cl16 K29 O438.16 P16 Sn16 W96 -","2","0.125","","Izarova, N. V.; Klaß, L; de Oliveira, P.; Mbomekalle, I.-M.; Peters, V.; Haarmann, F.; Kögerler, P","Tin(ii)-functionalization of the archetypal {P8W48} polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19200","19206","10.1039/c5dt03164h","","","0.71073","MoKα","","0.0709","0.0583","","","0.1563","0.1691","","","","","","1.092","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036894","8.843","0.002","8.843","0.002","12.15","0.004","90","","90","","90","","950.1","0.4","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C14 H24 Fe K N8 -","- C14 H24 Fe K N8 -","- C28 H48 Fe2 K2 N16 -","2","0.125","","Xu, Wei-Jian; Chen, Shao-Li; Hu, Zhi-Tao; Lin, Rui-Biao; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Cation-dependent structural phase transition and dielectric response in a family of cyano-bridged perovskite-like coordination polymers","Dalton Trans.","2015","","","","","10.1039/C5DT03481G","","","0.71073","MoKα","","0.0289","0.0286","","","0.0759","0.0762","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7040738","26.4024","0.0017","26.4024","0.0017","11.9689","0.001","90","","90","","90","","8343.4","1","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C120 H112 Fe4 Ho4 N16 O25 Zn4 -","- C120 H112 Fe4 Ho4 N16 O25 Zn4 -","- C240 H224 Fe8 Ho8 N32 O50 Zn8 -","2","0.125","","Chakraborty, Amit; Goura, Joydeb; Bag, Prasenjit; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Windmill-shaped octanuclear Zn/Ln (Ln(III) = Dy, Tb, Ho) heterometallic ensembles supported by a tetraferrocene scaffold.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17633","17643","10.1039/c6dt03144g","","","0.71073","MoKα","","0.1096","0.0634","","","0.1624","0.177","","","","","","1.002","","","","has coordinates","190196","2020-10-21","18:00:00",""
"7040750","16.7784","0.0008","16.7784","0.0008","6.8141","0.0005","90","","90","","90","","1918.27","0.19","180","2","180","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C18 H22 Co S2 -","- C18 H22 Co S2 -","- C72 H88 Co4 S8 -","4","0.25","","Eichhöfer, Andreas; Buth, Gernot","Polymeric cobalt(ii) thiolato complexes - syntheses, structures and properties of [Co(SMes)2] and [Co(SPh)2NH3].","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17382","17391","10.1039/c6dt03098j","","","0.71073","MoKα","","0.045","0.0374","","","0.0894","0.0925","","","","","","1.077","","","","has coordinates,has disorder","190197","2020-10-21","18:00:00",""
"7041886","13.7886","0.0006","13.7886","0.0006","15.0538","0.0003","90","","90","","90","","2862.11","0.19","123","","123","","","","","","","","","4","I 4/m","-I 4","87","Ext_PhGe4 with CH2Cl2","extended octaphenyl germa[4]pericyclyne","","- C66 H40 Cl4 Ge4 -","- C66 H40 Cl4 Ge4 -","- C132 H80 Cl8 Ge8 -","2","0.125","","Tanimoto, Hiroki; Fujiwara, Taro; Mori, Junta; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki; Kakiuchi, Kiyomi","Extended germa[N]pericyclynes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2281","2288","10.1039/c6dt04633a","","","0.71075","MoKα","","0.0478","0.0416","","","0.1076","0.1108","","","","","","1.114","","","","has coordinates","193832","2020-10-21","18:00:00",""
"7043251","13.546","0.0019","13.546","0.0019","34.908","0.007","90","","90","","90","","6405.4","1.8","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C108 H64 Ca4 O21 -","- C108 H64 Ca4 O21 -","- C216 H128 Ca8 O42 -","2","0.125","","Li, Huanzhi; Fang, Xueting; Ma, Sha; Niu, Yan-Fei; Zhao, Xiao-li; Xu, Jiaqiang; Duan, Zhiming","A two-dimensional porous framework: solvent-induced structural transformation and selective adsorption towards malachite green","Dalton Trans.","2017","","","","","10.1039/C7DT01262D","","","0.75","synchrotron","","0.0633","0.049","","","0.1367","0.1447","","","","","","1.077","","","","has coordinates","197551","2020-10-21","18:00:00",""
"7043253","13.3902","0.0012","13.3902","0.0012","35.51","0.007","90","","90","","90","","6366.9","1.5","296","2","296","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C108 H64 Ca4 O21 -","- C108 H64 Ca4 O21 -","- C216 H128 Ca8 O42 -","2","0.125","","Li, Huanzhi; Fang, Xueting; Ma, Sha; Niu, Yan-Fei; Zhao, Xiao-li; Xu, Jiaqiang; Duan, Zhiming","A two-dimensional porous framework: solvent-induced structural transformation and selective adsorption towards malachite green","Dalton Trans.","2017","","","","","10.1039/C7DT01262D","","","0.71073","MoKα","","0.1896","0.0852","","","0.2069","0.2407","","","","","","0.971","","","","has coordinates","197551","2020-10-21","18:00:00",""
"7045238","30.046","0.0012","30.046","0.0012","21.8685","0.0018","90","","90","","90","","19742","2","296","2","296","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C256 H236 Cl4 N16 Ni18.8 O54.8 S16 -","- C256 H232 Cl4 N16 Ni18.8 O54.8 S16 -","- C512 H464 Cl8 N32 Ni37.6 O109.6 S32 -","2","0.125","","Hang, Xinxin; Liu, Bing; Wang, Shentang; Liu, Yunling; Liao, Wuping","A metal-calixarene coordination nanotube with 5-(pyrimidin-5-yl)isophthalic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1782","1785","10.1039/c7dt04838f","","","0.71073","MoKα","","0.1028","0.0546","","","0.1485","0.1825","","","","","","1.024","","","","has coordinates,has disorder","229591","2020-10-21","18:00:00",""
"7045364","11.5322","0.0002","11.5322","0.0002","9.3666","0.0004","90","","90","","90","","1245.68","0.06","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C5 K6 Mo3 N5 Re3 Se8 -","- C5 K6 Mo3 N5 Re3 Se8 -","- C10 K12 Mo6 N10 Re6 Se16 -","2","0.125","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Ryzhikov, Maxim R.; Novozhilov, Igor N.; Samsonenko, Denis G.; Piryazev, Dmitry A.; Yanshole, Vadim V.; Naumov, Nikolay G.","Mixed-metal clusters with a {Re<sub>3</sub>Mo<sub>3</sub>Se<sub>8</sub>} core: from a polymeric solid to soluble species with multiple redox transitions.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3366","3377","10.1039/c7dt03571c","","","0.71073","MoKα","","0.0413","0.0362","","","0.0802","0.0817","","","","","","1.201","","","","has coordinates","229254","2020-10-21","18:00:00",""
"7045623","14.2842","0.0004","14.2842","0.0004","7.3758","0.0002","90","","90","","90","","1504.95","0.07","295","","295","","","","","","","","","4","I 4/m","-I 4","87","","","","- B4 H16 Li Sc -","- B4 H16 Li Sc -","- B32 H128 Li8 Sc8 -","8","0.5","","Starobrat, A.; Jaroń, T; Grochala, W.","New hydrogen-rich ammonium metal borohydrides, NH<sub>4</sub>[M(BH<sub>4</sub>)<sub>4</sub>], M = Y, Sc, Al, as potential H<sub>2</sub> sources.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4442","4448","10.1039/c7dt03926c","powder diffraction","x-ray","1.5418","CuKα","","0.0484","0.0357","","0.0315","0.0295","","","","0.03","","","","","","","has coordinates","301850","2025-08-21","14:34:43",""
"7046249","30.914","0.0007","30.914","0.0007","30.914","","90","","90","","90","","29543.7","0.9","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C102 H69 Cu6 N3 O30 -","- C102 H57 Cu6 N3 O30 -","- C816 H456 Cu48 N24 O240 -","8","0.5","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Li, Saidan; He, Yabing","A metal-organic framework based on a custom-designed diisophthalate ligand exhibiting excellent hydrostability and highly selective adsorption of C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub> over CH<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7213","7221","10.1039/c8dt00863a","","","0.71073","MoKα","","0.1658","0.1355","","","0.3432","0.3786","","","","","","1.096","","","","has coordinates,has disorder","229905","2020-10-21","18:00:00",""
"7047952","15.44","0.005","15.44","0.005","26.265","0.005","90","0.005","90","0.005","90","0.005","6261","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C21 H11 Co0.5 Cu0.58 N3 O10.25 -","- C21 H13 Co0.5 Cu0.576 N3 O10.25 -","- C168 H104 Co4 Cu4.608 N24 O82 -","8","0.5","","Kumar, Gulshan; Hussain, Firasat; Gupta, Rajeev","Copper based coordination polymers based on metalloligands: utilization as heterogeneous oxidation catalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16985","16994","10.1039/c8dt03836h","","","0.71073","MoKα","","0.0759","0.069","","","0.2044","0.2086","","","","","","1.128","","","","has coordinates","229693","2020-10-21","18:00:00",""
"7050648","11.915","0.004","11.915","0.004","13.252","0.009","90","","90","","90","","1881.3","1.6","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C8 H16 Mn2 N8 O8 W -","- C8 H16 Mn2 N8 O8 W -","- C32 H64 Mn8 N32 O32 W4 -","4","0.25","","Dong, Wen; Sun, Ya-Qiu; Zhu, Li-Na; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Cheng, Peng","Two different three-dimensional microporous framework structures in [Mn2(H2O)4{W(CN)8}�4H2O]n and [Mn2(H2O)4{W(CN)8} (OH)�2H2O]n","New Journal of Chemistry","2003","27","12","1760","","10.1039/b306755f","","","0.71073","MoKα","","0.0326","0.0236","","","0.0487","0.0509","","","","","","1.071","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7051714","18.5154","0.0008","18.5154","0.0008","27.4984","0.0013","90","","90","","90","","9427","0.7","150","2","150","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C87 H98 Cl2 Fe Mn4 N14 O20 -","- C87 H88 Cl2 Fe Mn4 N14 O20 -","- C348 H352 Cl8 Fe4 Mn16 N56 O80 -","4","0.25","","Ababei, Rodica; Li, Yang-Guang; Roubeau, Olivier; Kalisz, Marguerite; Bréfuel, Nicolas; Coulon, Claude; Harté, Etienne; Liu, Xueting; Mathonière, Corine; Clérac, Rodolphe","Bimetallic cyanido-bridged magnetic materials derived from manganese(iii) Schiff-base complexes and pentacyanidonitrosylferrate(ii) precursor","New Journal of Chemistry","2009","33","6","1237","","10.1039/b903399h","","","0.7749","synchrotron","","0.0855","0.0699","","","0.2085","0.2284","","","","","","1.032","","","","has coordinates,has disorder","180071","2020-10-21","18:00:00",""
"7052525","14.223","0.0007","14.223","0.0007","21.5472","0.0015","90","","90","","90","","4358.9","0.4","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C84 H124 Br N O24 -","- C84.04 H112 Br N O24 -","- C168.08 H224 Br2 N2 O48 -","2","0.125","","Mansikkamäki, Heidi; Nissinen, Maija; Schalley, Christoph A.; Rissanen, Kari","Self-assembling resorcinarene capsules: solid and gas phase studies on encapsulation of small alkyl ammonium cations","New Journal of Chemistry","2003","27","1","88","","10.1039/b207875a","","","0.71073","MoKα","","0.1353","0.0939","","","0.2666","0.2958","","","","","","1.101","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052826","10.5897","0.0006","10.5897","0.0006","26.8588","0.0016","90","","90","","90","","3012","0.3","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C56 H40 Cl2 Cr5 N24 -","- C56 H40 Cl2 Cr5 N24 -","- C112 H80 Cl4 Cr10 N48 -","2","0.125","","Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Lee, Gene-Hsiang; Huang, Yi-Lin; Yeh, Chen-Yu; Fu, Ming-Dung; Chen, Chun-hsien; Peng, Shie-Ming","Fine tuning of pentachromium(ii) metal string complexes through elaborate design of ligand","New Journal of Chemistry","2012","36","3","632","","10.1039/c1nj20512a","","","0.71073","MoKα","","0.0813","0.0708","","","0.1664","0.1737","","","","","","1.031","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7053366","15.7237","0.0008","15.7237","0.0008","14.9552","0.0016","90","","90","","90","","3697.4","0.5","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C72 H60 Cl4 Cu2 N16 O22 -","- C72 H60 Cl4 Cu2 N16 O22 -","- C144 H120 Cl8 Cu4 N32 O44 -","2","0.125","","Adarsh, N. N.; Tocher, Derek A.; Ribas, Joan; Dastidar, Parthasarathi","Metalla-macro-tricyclic cryptands: anion encapsulation and selective separation of sulfate via in situ crystallization","New Journal of Chemistry","2010","34","11","2458","","10.1039/b9nj00556k","","","0.71073","MoKα","","0.0833","0.0658","","","0.1639","0.1743","","","","","","1.053","","","","has coordinates","180087","2020-10-21","18:00:00",""
"7055255","15.295","0.005","15.295","0.005","19.43","0.005","90","0.005","90","0.005","90","0.005","4545","2","298","2","298.15","","","","","","","","","8","I 4/m","-I 4","87","","1","","- C24 H95 As Cu4 N16 Nb12 O52 V4 -","- C24 H80 As Cu4 N16 Nb12 O52 V4 -","- C48 H160 As2 Cu8 N32 Nb24 O104 V8 -","2","0.125","","Li, Ning; Liu, Yiwei; Lu, Ying; He, Danfeng; Liu, Shumei; Wang, Xingquan; Li, Yangguang; Liu, Shuxia","An arsenicniobate-based 3D framework with selective adsorption and anion-exchange properties","New J. Chem.","2016","40","3","2220","","10.1039/C5NJ02163D","","","0.71069","MoKα","","0.0611","0.0544","","","0.1863","0.1956","","","","","","1.051","","","","has coordinates,has disorder","181774","2020-10-21","18:00:00",""
"7055825","22.0619","0.0006","22.0619","0.0006","7.3434","0.0004","90","","90","","90","","3574.2","0.2","293","2","293.15","","","","","","","","","6","I 4/m","-I 4","87","","","","- C56 H60 Cl8 N12 O12 Zn4 -","- C52 H44 Cl8 N12 O8 Zn4 -","- C104 H88 Cl16 N24 O16 Zn8 -","2","0.125","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Jena, Himanshu Sekhar; Nematollahi, Parisa; Esrafili, Mehdi D.; Garczarek, Piotr; Van Hecke, Kristof; Servati Gargari, Masoumeh; Kirillov, Alexander M.","Halide ion-driven self-assembly of Zn(ii) compounds derived from an asymmetrical hydrazone building block: a combined experimental and theoretical study","New J. Chem.","2016","40","12","10116","","10.1039/C6NJ01534D","","","1.5418","CuKα","","0.0397","0.0321","","","0.0848","0.0884","","","","","","1.074","","","","has coordinates","190229","2020-10-21","18:00:00",""
"7055925","17.3071","0.0006","17.3071","0.0006","28.5287","0.0012","90","","90","","90","","8545.4","0.6","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C122 H186 Cu2 N24 O43 S13 -","- C104 H88 Cu2 N24 O20 S4 -","- C208 H176 Cu4 N48 O40 S8 -","2","0.125","","Adarsh, N. N.; Chakraborty, Amarnath; Tarrés, Màrius; Dey, Surjendu; Novio, Fernando; Chattopadhyay, Basab; Ribas, Xavi; Ruiz-Molina, Daniel","Ligand and solvent effects in the formation and self-assembly of a metallosupramolecular cage","New J. Chem.","2017","41","3","1179","","10.1039/C6NJ03456J","","","0.71073","MoKα","","0.0787","0.0677","","","0.1993","0.2113","","","","","","0.97","","","","has coordinates","191705","2020-10-21","18:00:00",""
"7058430","25.6122","0.0005","25.6122","0.0005","22.0939","0.0005","90","","90","","90","","14493.3","0.5","130","2","130","2","","","","","","","","5","I 4/m","-I 4","87","","","","- H0 Nb3.68 O238 P8 W48 -","- Nb3.68 O238 P8 W48 -","- Nb7.36 O476 P16 W96 -","2","0.125","","Shmakova, Alexandra A.; Volchek, Victoria V.; Yanshole, Vadim; Kompankov, Nikolay B.; Martin, Nicolas P.; Nyman, May; Abramov, Pavel A.; Sokolov, Maxim N.","Niobium uptake by a [P8W48O184]40− macrocyclic polyanion","New Journal of Chemistry","2019","43","25","9943","","10.1039/C9NJ01907C","","x-ray","0.71073","MoKα","","0.078","0.0454","","","0.1023","0.1164","","","","","","1.018","","","","has coordinates","224851","2020-10-21","18:00:00",""
"7063849","20.9609","0.0009","20.9609","0.0009","17.7989","0.0007","90","","90","","90","","7820.1","0.6","150.15","","150.15","","","","","","","","","7","I 4/m","-I 4","87","","","","- C41 H43 Cl Co N2 P3 Si -","- C41 H43 Cl Co N2 P3 Si -","- C328 H344 Cl8 Co8 N16 P24 Si8 -","8","0.5","","Li, Qingshuang; Wei, Lanfeng; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter; Hinz, Alexander; Li, Xiaoyan","Improvement of Regioselectivity of Alkene Hydrosilylation Catalyzed by [PNSiNP] Pincer Cobalt(III) Hydrides Using Sodium Methoxide as an Additive","New Journal of Chemistry","2025","49","27","11646","11653","10.1039/D5NJ01460C","","","0.71073","MoKα","","0.0628","0.0391","","","0.0949","0.1027","","","","","","1.047","","","","has coordinates,has disorder","301442","2025-08-04","07:36:25",""
"7101846","11.0008","0.0007","11.0008","0.0007","7.7052","0.0007","90","","90","","90","","932.46","0.12","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C12 H20 Br O8 Ru2 -","- C12 H20 Br O8 Ru2 -","- C24 H40 Br2 O16 Ru4 -","2","0.125","","Olea, David; González-Prieto, Rodrigo; Priego, José L; Barral, M Carmen; de Pablo, Pedro J; Torres, M Rosario; Gómez-Herrero, Julio; Jiménez-Aparicio, Reyes; Zamora, Félix","MMX polymer chains on surfaces.","Chemical communications (Cambridge, England)","2007","","16","1591","1593","10.1039/b613836e","","","0.71073","MoKα","","0.0285","0.0265","","","0.0665","0.0677","","","","","","1.145","","","","has coordinates","180120","2020-10-21","18:00:00",""
"7103822","26.1834","0.0013","26.1834","0.0013","15.5725","0.0009","90","","90","","90","","10676","1","110","2","110","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C38 H80 Br2 Cu2 N6 Ni3 O2 S6 -","- C38 H80 Br2 Cu2 N6 Ni3 O2 S6 -","- C304 H640 Br16 Cu16 N48 Ni24 O16 S48 -","8","0.5","","Golden, Melissa L.; Rampersad, Marilyn V.; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.","Capture of Ni^II^, Cu^I^ and Zn^II^ by thiolate sulfurs of an N~2~S~2~Ni complex: A role for a metallothiolate ligand in the acetyl-coenzyme A synthase active site","Chemical Communications (Cambridge, United Kingdom)","2003","","15","1824","1825","10.1039/b304884p","","","0.71073","MoKα","","0.0701","0.0519","","","0.1447","0.1601","","","","","","1.068","","","","has coordinates,has disorder","301853","2025-08-21","21:49:56",""
"7105111","25.6839","0.0008","25.6839","0.0008","22.0032","0.0009","90","","90","","90","","14514.7","0.9","183","2","183","2","","","","","","","","7","I 4/m","-I 4","87","","","","- H172 K18 Mo12 Na14 O298 P8 W48 -","- K16 Mo12 Na12 O275.16 P8 W48 -","- K32 Mo24 Na24 O550.32 P16 W96 -","2","0.125","","Filipa L. Sousa; Hartmut Bögge; Alice Merca; Pierre Gouzerh; René Thouvenot; Achim Müller","Vectorial growth/regulations in a {P8W48}-type polyoxotungstate compartment: trapped unusual molybdenum oxide acts as a handle","Chem. Commun.","2009","","","7491","7493","10.1039/b917476a","","","0.71073","MoKα","","0.0575","0.046","","","0.1299","0.1451","","","","","","1.131","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105250","10.8376","0.0006","10.8376","0.0006","17.6873","0.0007","90","","90","","90","","2077.44","0.18","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C42 H32 N14 Ru3 S2 -","- C42 H32 N14 Ru3 S2 -","- C84 H64 N28 Ru6 S4 -","2","0.125","","Shih, Kai-Neng; Huang, Min-Jie; Lu, Hao-Cheng; Fu, Ming-Dung; Kuo, Ching-Kuo; Huang, Gin-Chen; Lee, Gene-Hsiang; Chen, Chun-hsien; Peng, Shie-Ming","On the tuning of electric conductance of extended metal atom chains via axial ligands for [Ru3(μ3-dpa)4(X)2]0/+ (X = NCS−, CN−)","Chemical Communications","2010","46","8","1338","","10.1039/b916677g","","","0.71073","MoKα","","0.1061","0.0596","","","0.1644","0.1874","","","","","","1.026","","","","has coordinates,has disorder","180156","2020-10-21","18:00:00",""
"7106234","24.6357","0.0003","24.6357","0.0003","36.1032","0.0005","90","","90","","90","","21911.7","0.5","150","2","150","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C266 H319 Cl42 Co24 Mo20 O103 P S24 -","- C240 H264 Cl6 Co24 Mo19.9984 O95.996 P S24 -","- C480 H528 Cl12 Co48 Mo39.9968 O191.992 P2 S48 -","2","0.125","","Yanfeng Bi; Shangchao Du; Wuping Liao","p-tert-Butylthiacalix[4]arene-surpported High-nuclearity {Co24M8} (M = Mo or W) Nanospheres and the Hybrids with Keggin Polyoxometalates","Chem.Commun.","2011","47","","4724","","10.1039/c0cc05574c","","","0.71073","MoKα","","0.083","0.0707","","","0.2161","0.2275","","","","","","1.063","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7106271","25.16","0.003","25.16","0.003","25.726","0.003","90","","90","","90","","16285","3","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C104 H72 Cu4 O24 S2 -","- C104 H72 Cu4 O24 S2 -","- C416 H288 Cu16 O96 S8 -","4","0.25","","Weigang Lu; Daqiang Yuan; Andrey A. Yakovenko; Hong-Cai Zhou","Surface functionalization of metal–organic polyhedron for homogeneous cyclopropanation catalysis","Chem.Commun.","2011","47","","4968","","10.1039/c1cc00030f","","","0.71073","MoKα","","0.151","0.0655","","","0.1484","0.1683","","","","","","0.795","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106327","23.2603","0.0005","23.2603","0.0005","20.2085","0.0007","90","","90","","90","","10933.6","0.5","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C144 H180 Cu6 N76 O31 -","- C144 H180 Cu6 N76 O31 -","- C288 H360 Cu12 N152 O62 -","2","0.125","","Junhong Fu; Huijun Li; Yajuan Mu; Hongwei Hou; Yaoting Fan","Reversible single crystal to single crystal transformation with anion exchange-induced weak Cu2+ I- interactions and modification of the structures and properties of MOFs","Chem.Commun.","2011","47","","5271","","10.1039/c1cc10251f","","","1.54184","CuKα","","0.0844","0.0701","","","0.1967","0.2121","","","","","","1.017","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106328","23.178","0.003","23.178","0.003","20.105","0.004","90","","90","","90","","10801","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C144 H168 Cu6 I12 N72 O6 -","- C144 H168 Cu6 I12.04 N72 O6 -","- C288 H336 Cu12 I24.08 N144 O12 -","2","0.125","","Junhong Fu; Huijun Li; Yajuan Mu; Hongwei Hou; Yaoting Fan","Reversible single crystal to single crystal transformation with anion exchange-induced weak Cu2+ I- interactions and modification of the structures and properties of MOFs","Chem.Commun.","2011","47","","5271","","10.1039/c1cc10251f","","","0.71073","MoKα","","0.0981","0.0814","","","0.2292","0.2495","","","","","","1.028","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106329","23.0648","0.0013","23.0648","0.0013","19.9962","0.0018","90","","90","","90","","10637.7","1.3","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C144 H152 Cu6 N76 O43 -","- C144 H152 Cu6 N76 O43 -","- C288 H304 Cu12 N152 O86 -","2","0.125","","Junhong Fu; Huijun Li; Yajuan Mu; Hongwei Hou; Yaoting Fan","Reversible single crystal to single crystal transformation with anion exchange-induced weak Cu2+ I- interactions and modification of the structures and properties of MOFs","Chem.Commun.","2011","47","","5271","","10.1039/c1cc10251f","","","1.54184","CuKα","","0.1517","0.091","","","0.2161","0.2452","","","","","","1.069","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7107284","26.67","0.0003","26.67","0.0003","38.0416","0.001","90","","90","","90","","27058.6","0.8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C27 H12 Cu3 N6 O15 -","- C27 H12 Cu3 N6 O15 -","- C432 H192 Cu48 N96 O240 -","16","1","","Ryan Luebke; Jarrod Eubank; Amy Cairns; Youssef Belmabkhout; Lukasz Wojtas; Mohamed Eddaoudi","The unique rht-MOF platform, ideal for pinpointing the functionalization and CO2 adsorption relationship","Chem.Commun.","2012","48","","1455","","10.1039/c1cc15962c","","","1.54178","CuKα","","0.0944","0.0552","","","0.1162","0.1239","","","","","","0.998","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107517","22","0.01","22","0.01","23","0.01","90","","90","","90","","11132","9","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H22 N4 O13 Zn3 -","- C28 H22 N4 O13 Zn3 -","- C224 H176 N32 O104 Zn24 -","8","0.5","","Zhi-Qiang Jiang; Guiyuan Jiang; Fei Wang; Zhen Zhao; Jian Zhang","Ring-size controllable metallamacrocycles as building blocks for the construction of microporous metal-organic frameworks","Chem.Commun.","2012","48","","3653","","10.1039/c2cc17256a","","","0.71073","MoKα","","0.0739","0.0543","","","0.1435","0.1564","","","","","","0.993","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107518","21.265","0.004","21.265","0.004","22.666","0.006","90","","90","","90","","10250","4","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H20 N4 O13 Zn3 -","- C24 H20 N4 O13 Zn3 -","- C192 H160 N32 O104 Zn24 -","8","0.5","","Zhi-Qiang Jiang; Guiyuan Jiang; Fei Wang; Zhen Zhao; Jian Zhang","Ring-size controllable metallamacrocycles as building blocks for the construction of microporous metal-organic frameworks","Chem.Commun.","2012","48","","3653","","10.1039/c2cc17256a","","","0.71073","MoKα","","0.0945","0.0781","","","0.2141","0.2374","","","","","","1.06","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7108696","14.133","0.002","14.133","0.002","21.552","0.004","90","","90","","90","","4304.8","1.2","150","2","150","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C36 H96 Cl2 Mn6 N0 O32 P8 -","- C36 H80 Cl2.04 Mn6 O32 P8 -","- C72 H160 Cl4.08 Mn12 O64 P16 -","2","0.125","","Lei Zhang; Bartosz Marzec; Rodolphe Clerac; Yanhui Chen; Hongzhou Zhang; Wolfgang Schmitt","Supramolecular approaches to metal-organic gels using ‘Chevrel-type’ coordination clusters as building units","Chem.Commun.","2013","49","","66","","10.1039/c2cc35486a","","","0.71073","MoKα","","0.0661","0.0631","","","0.1816","0.185","","","","","","1.036","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7109708","15.561","0.002","15.561","0.002","40.195","0.008","90","","90","","90","","9733","3","185","2","185","2","","","","","","","","7","I 4/m","-I 4","87","(Fe4(C40H44S4O4)Cl)FeCl2(C6H4NO2)2","","","- C64 H60 Cl3 Fe5 N4 O12 S4 -","- C64 H60 Cl3 Fe5 N4 O12 S4 -","- C256 H240 Cl12 Fe20 N16 O48 S16 -","4","0.25","","Huaqiao Tan; Shangchao Du; Yanfeng Bi; Wuping Liao","Two 2D metal-calixarene aggregates incorporating pre-designed coordination nanocages","Chem.Commun.","2013","49","","8211","","10.1039/c3cc42259c","","","0.71073","MoKα","","0.0808","0.0711","","","0.2062","0.2121","","","","","","1.039","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109709","15.6006","0.0003","15.6006","0.0003","38.9682","0.0019","90","","90","","90","","9484","0.5","150","2","150","2","","","","","","","","7","I 4/m","-I 4","87","(Co4(C40H44S4O4)Cl)CoCl2(C6H4NO2)2","","","- C64 H60 Cl3 Co5 N4 O12 S4 -","- C64 H58 Cl3 Co5 N4 O12 S4 -","- C256 H232 Cl12 Co20 N16 O48 S16 -","4","0.25","","Huaqiao Tan; Shangchao Du; Yanfeng Bi; Wuping Liao","Two 2D metal-calixarene aggregates incorporating pre-designed coordination nanocages","Chem.Commun.","2013","49","","8211","","10.1039/c3cc42259c","","","0.71073","MoKα","","0.0704","0.0509","","","0.13","0.1403","","","","","","1.031","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109803","26.855","0.004","26.855","0.004","38.127","0.008","90","","90","","90","","27497","8","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C27 H22.25 N6 O17.13 Zn3 -","- C27 H12 N6 O17.125 Zn3 -","- C432 H192 N96 O274 Zn48 -","16","1","","Dingxuan Ma; Baiyan Li; Xiaojing Zhou; Qi Zhou; Kang Liu; Guang Zeng; Guanghua Li; Zhan Shi; Shouhua Feng","A dual functional MOF as a luminescent sensor for quantitatively detecting the concentration of nitrobenzene and temperature","Chem.Commun.","2013","49","","8964","","10.1039/c3cc44546a","","","0.71073","MoKα","","0.0865","0.0574","","","0.159","0.17","","","","","","1.034","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109807","17.149","0.0003","17.149","0.0003","20.7268","0.0009","90","","90","","90","","6095.5","0.3","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","μ-Hexafluorosilicato-tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-dimethanol-dicopper(II) hexafluorosilicate, solvate with 3 methanol","","- C61 H60 Cu2 F12 N16 O5 Si2 -","- C58 H48 Cu2 F12 N16 O2 Si2 -","- C232 H192 Cu8 F48 N64 O8 Si8 -","4","0.25","","Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch","Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds","Chem.Commun.","2013","49","","9018","","10.1039/c3cc45271a","","","0.71073","MoKα","","0.06","0.0415","","","0.099","0.1048","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109808","17.1776","0.0008","17.1776","0.0008","20.715","0.002","90","","90","","90","","6112.4","0.7","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","μ-[Hexafluorosilicato/Hexafluorogermanate 0.93:0.07]- tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-dimethanol-dicopper(II) Hexafluorosilicate/Hexafluorogermanate 0.67:0.33, solvate with 3 methanol","","- C61 H60 Cu2 F12 Ge0.4 N16 O5 Si1.6 -","- C58 H48 Cu2 F12 Ge0.402 N16 O2 Si1.598 -","- C232 H192 Cu8 F48 Ge1.608 N64 O8 Si6.392 -","4","0.25","","Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch","Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds","Chem.Commun.","2013","49","","9018","","10.1039/c3cc45271a","","","0.71073","MoKα","","0.075","0.0407","","","0.0863","0.0944","","","","","","0.977","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109809","17.2531","0.0003","17.2531","0.0003","20.5377","0.001","90","","90","","90","","6113.4","0.3","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","μ-[Hexafluorosilicato/Hexafluorogermanato 0.89:0.11]- tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-dimethanol-dicopper(II) Hexafluorosilicate/Hexafluorogermanate 0.38:0.62, solvate with 3 methanol","","- C61 H60 Cu2 F12 Ge0.73 N16 O5 Si1.27 -","- C58 H48 Cu2 F12 Ge0.729 N16 O2 Si1.271 -","- C232 H192 Cu8 F48 Ge2.916 N64 O8 Si5.084 -","4","0.25","","Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch","Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds","Chem.Commun.","2013","49","","9018","","10.1039/c3cc45271a","","","0.71073","MoKα","","0.0846","0.0458","","","0.0916","0.1016","","","","","","0.96","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109810","17.2903","0.0003","17.2903","0.0003","20.544","0.001","90","","90","","90","","6141.7","0.3","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","μ-Hexafluorosilicato-tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-dimethanol-dicopper(II) Hexafluorosilicate/Hexafluorostannate(IV) 0.50:0.50, solvate with 3 methanol","","- C61 H60 Cu2 F12 N16 O5 Si1.5 Sn0.5 -","- C58 H48 Cu2 F12 N16 O2 Si1.496 Sn0.504 -","- C232 H192 Cu8 F48 N64 O8 Si5.984 Sn2.016 -","4","0.25","","Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch","Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds","Chem.Commun.","2013","49","","9018","","10.1039/c3cc45271a","","","0.71073","MoKα","","0.0803","0.05","","","0.1363","0.1513","","","","","","1.143","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109811","17.3756","0.0004","17.3756","0.0004","20.5964","0.0009","90","","90","","90","","6218.3","0.3","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","μ-[Hexafluorosilicato-tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-dimethanol-dicopper(II) Hexafluorosilicate/Hexafluorostannate(IV) 0.21:0.79, solvate with 3 methanol","","- C61 H60 Cu2 F12 N16 O5 Si1.21 Sn0.79 -","- C58 H48 Cu2 F12 N16 O2 Si1.209 Sn0.791 -","- C232 H192 Cu8 F48 N64 O8 Si4.836 Sn3.164 -","4","0.25","","Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch","Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds","Chem.Commun.","2013","49","","9018","","10.1039/c3cc45271a","","","0.71073","MoKα","","0.0499","0.0354","","","0.0805","0.0849","","","","","","1.081","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7110294","13.368","0.004","13.368","0.004","9.647","0.006","90","","90","","90","","1724","1.3","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","(5,10,15,20-tetraphenyl-2-aza-21-carba- porphyrinato)(water)cobalt(iii)","(5,10,15,20-tetraphenyl-2-aza-21-carba-porphyrinato)(water)cobalt(III)","","- C44 H30 Co N4 O -","- C44 H36 Co N4 O -","- C88 H72 Co2 N8 O2 -","2","0.125","","Harvey, John D.; Ziegler, Christopher J.","Dianionic and trianionic macrocycles in cobalt N-confused porphyrin complexesElectronic supplementary information (ESI) available: Absorption spectra for 1, 2 and 4. See http://www.rsc.org/suppdata/cc/b4/b404261a/","Chemical Communications","2004","","14","1666","1667","10.1039/b404261a","","","0.71073","MoKα","","0.1554","0.0908","","","0.2302","0.2659","","","","","","0.964","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7111790","17.995","0.009","17.995","0.009","9.182","0.005","90","","90","","90","","2973","3","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C7 H6.5 I0.25 N0.5 Os0.125 -","- C7 H8 I0.25 N0.5 Os0.125 -","- C112 H128 I4 N8 Os2 -","16","1","","Gross, Zeev; Barzilay, Claudia M.","Halogen to metal π-donation in metalloporphyrins","Chemical Communications (Cambridge, United Kingdom)","1998","","10","1105","1107","10.1039/a802315h","","","0.71069","MoKα","","0.04","0.0375","","0.1064","0.1016","","","","1.086","1.079","1.079","","","","","has coordinates","210986","2020-10-21","18:00:00",""
"7112265","17.8029","0.0003","17.8029","0.0003","29.2271","0.0007","90","","90","","90","","9263.3","0.3","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","catena-(dodecakis(μ~3~-4,5-diamide-2-olato-imidazolato)-(μ-~6~oxo)-tetra- aqua-dihydroxo-tetradeca-zinc(II)) dimethylformamide solvate","","- C14.5 H22.25 Co1.75 N8.5 O7.375 -","- C8.5 H8.25 Co1.75 N6.5 O5.375 -","- C136 H132 Co28 N104 O86 -","16","1","","Mondal, Suvendu Sekhar; Bhunia, Asamanjoy; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Holdt, Hans-Jürgen","A supramolecular Co(ii)14-metal-organic cube in a hydrogen-bonded network and a Co(ii)-organic framework with a flexible methoxy substituent.","Chemical communications (Cambridge, England)","2014","50","41","5441","5443","10.1039/c3cc49698h","","","0.71073","MoKα","","0.0689","0.0623","","","0.175","0.1815","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112274","28.1527","0.0016","28.1527","0.0016","41.07","0.004","90","","90","","90","","32551","4","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C30 H18 Cu3 N10 O15 -","- C30 H12 Cu3 N10 O15 -","- C480 H192 Cu48 N160 O240 -","16","1","","Liu, Kang; Li, Baiyan; Li, Yi; Li, Xu; Yang, Fen; Zeng, Guang; Peng, Yu; Zhang, Zhijuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua; Song, Datong","An N-rich metal-organic framework with an rht topology: high CO2 and C2 hydrocarbons uptake and selective capture from CH4.","Chemical communications (Cambridge, England)","2014","50","39","5031","5033","10.1039/c4cc00375f","","","0.71073","MoKα","","0.0636","0.0481","","","0.1246","0.13","","","","","","0.994","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112538","26.3094","0.0009","26.3094","0.0009","44.152","0.003","90","","90","","90","","30561","3","120","2","120","2","","","","","","","","5","I 4/m","-I 4","87","(Co24(OH)6(C40H44S4O12)6(C9H3O6)8)","","","- C312 H294 Co24 O126 S24 -","- C312 H294 Co24 O126 S24 -","- C624 H588 Co48 O252 S48 -","2","0.125","","Du, Shangchao; Hu, Chunhua; Xiao, Ji-Chang; Tan, Huaqiao; Liao, Wuping","A giant coordination cage based on sulfonylcalix[4]arenes.","Chemical communications (Cambridge, England)","2012","48","73","9177","9179","10.1039/c2cc34265k","","","0.71073","MoKα","","0.0946","0.0867","","","0.2372","0.2441","","","","","","1.084","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112539","34.1605","0.001","34.1605","0.001","54.943","0.002","90","","90","","90","","64115","4","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","(Co24(OH)6(C40H44S4O12)6(C27H15O6)8)","","","- C456 H390 Co24 O126 S24 -","- C456 H390 Co24 O126 S24 -","- C912 H780 Co48 O252 S48 -","2","0.125","","Du, Shangchao; Hu, Chunhua; Xiao, Ji-Chang; Tan, Huaqiao; Liao, Wuping","A giant coordination cage based on sulfonylcalix[4]arenes.","Chemical communications (Cambridge, England)","2012","48","73","9177","9179","10.1039/c2cc34265k","","","0.71073","MoKα","","0.1157","0.0605","","","0.1576","0.177","","","","","","1.016","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112540","37.232","0.013","37.232","0.013","60.29","0.03","90","","90","","90","","83575","6","120","2","120","2","","","","","","","","5","I 4/m","-I 4","87","(Co24(OH)6(C40H44S4O12)6(C33H15O6)8)","","","- C504 H390 Co24 O126 S24 -","- C504 H390 Co24 O126 S24 -","- C1008 H780 Co48 O252 S48 -","2","0.125","","Du, Shangchao; Hu, Chunhua; Xiao, Ji-Chang; Tan, Huaqiao; Liao, Wuping","A giant coordination cage based on sulfonylcalix[4]arenes.","Chemical communications (Cambridge, England)","2012","48","73","9177","9179","10.1039/c2cc34265k","","","0.71073","MoKα","","0.166","0.1084","","","0.2273","0.2421","","","","","","1.062","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7113046","21.861","0.003","21.861","0.003","16.153","0.003","90","","90","","90","","7720","2","153","2","153","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C20 H16 Br I O2 -","- C20 H13 Br I O2 -","- C320 H208 Br16 I16 O32 -","16","1","","Mangalum, Anshuman; Morgan, Brad P.; Hanley, Jessica M.; Jecen, Kristine M.; McGill, Charles J.; Robertson, Grant A.; Smith, Rhett C.","Interchromophore orientation scaffolding by m-terphenyl oxacyclophanes.","Chemical communications (Cambridge, England)","2010","46","28","5136","5138","10.1039/c0cc00247j","","","0.71073","MoKα","","0.082","0.0674","","","0.166","0.1795","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7113914","15.141","0.002","15.141","0.002","19.257","0.004","90","","90","","90","","4414.7","1.2","293","2","293","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C16 H80 Cu4 N16 Nb12 O59 P V6 -","- C16 H64 Cu4 N16 Nb12 O59 P V6 -","- C32 H128 Cu8 N32 Nb24 O118 P2 V12 -","2","0.125","","Jian-Qiang Shen; Ying Zhang; Zhi-Ming Zhang; Yang-Guang Li; Yan-Qing Gao; En-Bo Wang","Polyoxoniobate-based 3D framework materials with photocatalytic hydrogen evolution activity","Chem.Commun.","2014","50","","6017","","10.1039/C3CC49245A","","","0.71073","MoKα","","0.0746","0.0649","","","0.2049","0.2145","","","","","","1.002","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113915","15.229","0.002","15.229","0.002","19.207","0.004","90","","90","","90","","4454.5","1.2","293","2","293","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C24 H97 Cu4 N16 Nb12 O57 P V6 -","- C24 H80 Cu4 N16 Nb12 O57 P V6 -","- C48 H160 Cu8 N32 Nb24 O114 P2 V12 -","2","0.125","","Jian-Qiang Shen; Ying Zhang; Zhi-Ming Zhang; Yang-Guang Li; Yan-Qing Gao; En-Bo Wang","Polyoxoniobate-based 3D framework materials with photocatalytic hydrogen evolution activity","Chem.Commun.","2014","50","","6017","","10.1039/C3CC49245A","","","0.71073","MoKα","","0.0765","0.0645","","","0.2105","0.2226","","","","","","1.038","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7114690","14.984","0.004","14.984","0.004","25.761","0.012","90","","90","","90","","5784","3","296","2","296","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C115 H128 I4 Mn2 O13 P8 -","- C114.32 H104 I3.9456 Mn2 O12.32 P8 -","- C228.64 H208 I7.8912 Mn4 O24.64 P16 -","2","0.125","","Cross, Wendy I.; Godfrey, Stephen M.; McAuliffe, Charles A.; Pritchard, Robin G.","Crystal engineering of microporous ‘Chinese-lantern’ compounds to improve their ability to reversibly adsorb sulfur dioxide","Chemical Communications","2001","","18","1764","","10.1039/b101263k","","","0.71073","MoKα","","0.116","0.0409","","","0.0856","0.0996","","","","","","0.842","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114691","14.382","0.003","14.382","0.003","26.076","0.009","90","","90","","90","","5394","2","296","2","296","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C115 H128 Cl4 Mn2 O13 P8 -","- C115 H104 Cl4 Mn2 O13 P8 -","- C230 H208 Cl8 Mn4 O26 P16 -","2","0.125","","Cross, Wendy I.; Godfrey, Stephen M.; McAuliffe, Charles A.; Pritchard, Robin G.","Crystal engineering of microporous ‘Chinese-lantern’ compounds to improve their ability to reversibly adsorb sulfur dioxide","Chemical Communications","2001","","18","1764","","10.1039/b101263k","","","0.71073","MoKα","","0.153","0.0698","","","0.1262","0.1521","","","","","","1.066","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114692","14.523","0.004","14.523","0.004","25.874","0.012","90","","90","","90","","5457","3","203","2","203","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C115 H128 Br4 Mn2 O13 P8 -","- C115 H104 Br4 Mn2 O13 P8 -","- C230 H208 Br8 Mn4 O26 P16 -","2","0.125","","Cross, Wendy I.; Godfrey, Stephen M.; McAuliffe, Charles A.; Pritchard, Robin G.","Crystal engineering of microporous ‘Chinese-lantern’ compounds to improve their ability to reversibly adsorb sulfur dioxide","Chemical Communications","2001","","18","1764","","10.1039/b101263k","","","0.71073","MoKα","","0.1488","0.0732","","","0.1361","0.158","","","","","","1.03","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7115217","10.7234","0.0007","10.7234","0.0007","26.663","0.004","90","","90","","90","","3066","0.5","213","2","213","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C64 H54 Cl2 Cr5 N20 O -","- C64.08 H40 Cl2 Cr5 N20 O1.02 -","- C128.16 H80 Cl4 Cr10 N40 O2.04 -","2","0.125","","Albert Cotton, F.; Daniels, Lee M.; Murillo, Carlos A.; Wang, Xiaoping; Murillo, Carlos A.","Getting the right answer to a key question concerning molecular wires","Chemical Communications","1999","","24","2461","","10.1039/a906727b","","","0.71073","MoKα","","0.0737","0.0602","","0.164","0.1441","","","","0.998","1.01","1.01","","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7116557","28.096","0.004","28.096","0.004","40.947","0.008","90","","90","","90","","32323","9","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C216 H184 Cu24 N8 O144 -","- C216 H128 Cu24 N8 O144 -","- C432 H256 Cu48 N16 O288 -","2","0.125","","Hyehyun Kim; Minhak Oh; Dongwook Kim; Jeongin Park; Junmo Seong; Sang Kyu Kwak; Myoung Soo Lah","Single crystalline hollow metal-organic frameworks: a metal-organic polyhedron single crystal as a sacrificial template","Chem.Commun.","2015","51","","3678","","10.1039/C4cc10051D","","","1","synchrotron","","0.1456","0.1132","","","0.3621","0.4021","","","","","","1.446","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7117504","5.8851","","5.8851","","8.3474","","90","","90","","90","","289.107","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Y Ta O6","","- Ba2 O6 Ta Y -","- Ba2 O6 Ta Y -","- Ba4 O12 Ta2 Y2 -","2","0.125","","Lufaso, M.W.; Vogt, T.; Lee, Y.; Macquart, R.B.; zur Loye, H.C.","Pressure induced octahedral tilting distortion in Ba2 Y Ta O6","Chemical Communications","2006","2006","","168","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118705","28.98","0.004","28.98","0.004","40.961","0.008","90","","90","","90","","34401","9","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C288 H288 Cu12 O108 Pd12 -","- C288 H288 Cu12 O108 Pd12 -","- C576 H576 Cu24 O216 Pd24 -","2","0.125","","Teo, Jesse M.; Coghlan, Campbell J.; Evans, Jack D.; Tsivion, Ehud; Head-Gordon, Martin; Sumby, Christopher J.; Doonan, Christian J.","Hetero-bimetallic metal-organic polyhedra.","Chemical communications (Cambridge, England)","2016","52","2","276","279","10.1039/c5cc08336b","","","0.71073","Synchrotron","","0.1087","0.0948","","","0.2606","0.2726","","","","","","1.04","","","","has coordinates,has disorder","301857","2025-08-21","22:47:32",""
"7118706","29.174","0.004","29.174","0.004","41.296","0.008","90","","90","","90","","35148","10","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C288 H288 Ni12 O108 Pd12 -","- C288 H288 Ni12 O108 Pd12 -","- C576 H576 Ni24 O216 Pd24 -","2","0.125","","Teo, Jesse M.; Coghlan, Campbell J.; Evans, Jack D.; Tsivion, Ehud; Head-Gordon, Martin; Sumby, Christopher J.; Doonan, Christian J.","Hetero-bimetallic metal-organic polyhedra.","Chemical communications (Cambridge, England)","2016","52","2","276","279","10.1039/c5cc08336b","","","0.71073","Synchrotron","","0.0833","0.069","","","0.2067","0.2183","","","","","","1.072","","","","has coordinates,has disorder","175843","2020-10-21","18:00:00",""
"7118707","28.935","0.004","28.935","0.004","41.164","0.008","90","","90","","90","","34464","10","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C288 H288 O108 Pd12 Zn12 -","- C288 H288 O108 Pd12 Zn12 -","- C576 H576 O216 Pd24 Zn24 -","2","0.125","","Teo, Jesse M.; Coghlan, Campbell J.; Evans, Jack D.; Tsivion, Ehud; Head-Gordon, Martin; Sumby, Christopher J.; Doonan, Christian J.","Hetero-bimetallic metal-organic polyhedra.","Chemical communications (Cambridge, England)","2016","52","2","276","279","10.1039/c5cc08336b","","","0.71073","Synchrotron","","0.0919","0.0775","","","0.2233","0.2354","","","","","","1.043","","","","has coordinates,has disorder","175843","2020-10-21","18:00:00",""
"7118792","33.231","0.003","33.231","0.003","28.78","0.002","90","","90","","90","","31782","5","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C336 H312 N48 O38 Pd6 -","- C336 H312 N48 O38 Pd6 -","- C672 H624 N96 O76 Pd12 -","2","0.125","","Roy, Bijan; Zangrando, Ennio; Mukherjee, Partha Sarathi","Self-assembly of a redox active water soluble Pd6L8 'molecular dice'.","Chemical communications (Cambridge, England)","2016","52","24","4489","4492","10.1039/c6cc00042h","","","0.77","synchrotron","","0.0973","0.08","","","0.2384","0.2563","","","","","","1.104","","","","has coordinates","181551","2020-10-21","18:00:00",""
"7120053","33.2401","0.0004","33.2401","0.0004","5.8894","0.0001","90","","90","","90","","6507.22","0.16","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C20 H25 Cl N O5 Pb1.5 -","- C20 Cl O5 Pb1.5 -","- C160 Cl8 O40 Pb12 -","8","0.5","","Dai, Fangna; Fan, Weidong; Yuan, Xue; Huang, Zhaodi; Wang, Yutong; Xin, Xuelian; Lin, Huan; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","A Non-interpenetrating Lead-Organic Framework with Large Channels Based on 1D Tube-Shaped SBUs","Chem. Commun.","2017","","","","","10.1039/C7CC02134H","","","1.54184","CuKα","","0.0949","0.0899","","","0.2504","0.2537","","","","","","1.13","","","","has coordinates,has disorder","195858","2020-10-21","18:00:00",""
"7120501","35.309","0.003","35.309","0.003","43.609","0.004","90","","90","","90","","54368","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C496 H376 Cu24 N8 O224 -","- C496 H376 Cu24 N8 O224 -","- C992 H752 Cu48 N16 O448 -","2","0.125","","Bae, Jaeyeon; Baek, Kangkyun; Yuan, Daqiang; Kim, Wooram; Kim, Kimoon; Zhou, Hong-Cai; Park, Jinhee","Reversible Photoreduction of Cu(II)-Coumarin Metal-Organic Polyhedra","Chem. Commun.","2017","","","","","10.1039/C7CC04799A","","","0.71073","MoKα","","0.1418","0.0674","","","0.1714","0.2527","","","","","","1.111","","","","has coordinates,has disorder","199355","2020-10-21","18:00:00",""
"7120517","11.9694","0.0003","11.9694","0.0003","13.1021","0.0004","90","","90","","90","","1877.09","0.09","120","2","120","2","","","","","","","","6","I 4/m","-I 4","87","","Mn2MoN3","","- C8 H12 Mn2 Mo N12 O5 -","- C8 H12 Mn2 Mo N12 O5 -","- C32 H48 Mn8 Mo4 N48 O20 -","4","0.25","","Handzlik, Gabriela; Kozieł, Marcin; Olejniczak, Anna; Sieklucka, Barbara; Pinkowicz, Dawid","Cyanide vs azide ""magnetic arm wrestling"": MnII-NbIV and MnII-MoIV magnetic coordination polymers with mixed bridging","Chem. Commun.","2017","","","","","10.1039/C7CC05319C","","","0.71073","MoKα","","0.0259","0.0208","","","0.0461","0.0476","","","","","","1.033","","","","has coordinates","199622","2020-10-21","18:00:00",""
"7120518","12.0837","0.0003","12.0837","0.0003","13.3147","0.0003","90","","90","","90","","1944.16","0.08","170","2","170","2","","","","","","","","6","I 4/m","-I 4","87","","Mn2NbN3","","- C8 H12 Mn2 N12 Nb O5 -","- C8 H12 Mn2 N12 Nb O5 -","- C32 H48 Mn8 N48 Nb4 O20 -","4","0.25","","Handzlik, Gabriela; Kozieł, Marcin; Olejniczak, Anna; Sieklucka, Barbara; Pinkowicz, Dawid","Cyanide vs azide ""magnetic arm wrestling"": MnII-NbIV and MnII-MoIV magnetic coordination polymers with mixed bridging","Chem. Commun.","2017","","","","","10.1039/C7CC05319C","","","0.71073","MoKα","","0.0363","0.0344","","","0.0723","0.0731","","","","","","1.13","","","","has coordinates","199622","2020-10-21","18:00:00",""
"7120921","13.3986","0.0005","13.3986","0.0005","8.7112","0.0006","90","","90","","90","","1563.86","0.14","100","0.1","100","0.1","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H26 I4 N4 O5 -","- C24 H26 I4 N4 O5 -","- C48 H52 I8 N8 O10 -","2","0.125","","Kosiorek, Sandra; Rosa, Bartłomiej; Boinski, Tomasz; Butkiewicz, Helena; Szymański, Marek P.; Danylyuk, Oksana; Szumna, Agnieszka; Sashuk, Volodymyr","Pillar[4]pyridinium. A Square-Shaped Molecular Box","Chemical Communications","2017","","","","","10.1039/C7CC08562A","","","0.71073","MoKα","","0.0448","0.0394","","","0.0894","0.0916","","","","","","1.089","","","","has coordinates,has disorder","203651","2020-10-21","18:00:00",""
"7121043","12.3385","0.0009","12.3385","0.0009","13.745","0.002","90","","90","","90","","2092.5","0.4","293","2","293.15","","","","","","","","","5","I 4/m","-I 4","87","","","","- C11 H32 B11 N O4 -","- C11 H32 B11 N O4 -","- C44 H128 B44 N4 O16 -","4","0.25","","Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks.","Chemical communications (Cambridge, England)","2018","54","14","1698","1701","10.1039/c7cc07724f","","","0.71073","MoKα","","0.0694","0.054","","","0.143","0.1529","","","","","","1.11","","","","has coordinates,has disorder","228392","2020-10-21","18:00:00",""
"7122223","19.562","0.0008","19.562","0.0008","29.3799","0.0015","90","","90","","90","","11242.9","0.9","100","","100","","","","","","","","","5","I 4/m","-I 4","87","","","","- C60 H140 Cl42 Np38 O76 -","- C60 H140 Cl42 Np38 O76 -","- C120 H280 Cl84 Np76 O152 -","2","0.125","","Martin, Nicolas P.; Volkringer, Christophe; Roussel, Pascal; März, Juliane; Hennig, Christoph; Loiseau, Thierry; Ikeda-Ohno, Atsushi","{Np<sub>38</sub>} clusters: the missing link in the largest poly-oxo cluster series of tetravalent actinides.","Chemical communications (Cambridge, England)","2018","54","72","10060","10063","10.1039/c8cc03744b","","x-ray","0.71073","MoKα","","0.1084","0.041","","","0.0774","0.091","","","","1.48","1.48","1.23","","","","has coordinates","228413","2020-10-21","18:00:00",""
"7122224","21.9347","0.001","21.9347","0.001","29.8559","0.0014","90","","90","","90","","14364.6","1.1","100","","100","","","","","","","","","5","I 4/m","-I 4","87","","","","- C200 H184 Cl18 Np38 O112 -","- C200 H184 Cl18 Np38 O112 -","- C400 H368 Cl36 Np76 O224 -","2","0.125","","Martin, Nicolas P.; Volkringer, Christophe; Roussel, Pascal; März, Juliane; Hennig, Christoph; Loiseau, Thierry; Ikeda-Ohno, Atsushi","{Np<sub>38</sub>} clusters: the missing link in the largest poly-oxo cluster series of tetravalent actinides.","Chemical communications (Cambridge, England)","2018","54","72","10060","10063","10.1039/c8cc03744b","","x-ray","0.71073","MoKα","","0.0985","0.0697","","","0.0843","0.0876","","","","4.43","4.43","3.63","","","","has coordinates","228413","2020-10-21","18:00:00",""
"7122553","18.9268","0.0006","18.9268","0.0006","24.7717","0.0009","90","","90","","90","","8873.8","0.5","100.01","0.13","100.01","0.13","","","","","","","","6","I 4/m","-I 4","87","","","","- C128 H124 F4 N24 O16 Pd2 -","- C128 H124 F4 N24 O16 Pd2 -","- C256 H248 F8 N48 O32 Pd4 -","2","0.125","","Lin, Qi; Gao, Lei; Kauffmann, Brice; Zhang, Jiajia; Ma, Chunmiao; Luo, Dan; Gan, Quan","Helicity adaptation within a quadruply stranded helicate by encapsulation.","Chemical communications (Cambridge, England)","2018","54","95","13447","13450","10.1039/c8cc07932c","","x-ray","1.54184","CuKα","","0.096","0.0692","","","0.182","0.1954","","","","","","0.937","","","","has coordinates","301860","2025-08-22","09:24:09",""
"7122679","18.795","0.0019","18.795","0.0019","12.808","0.003","90","","90","","90","","4524.5","1.2","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C6 H8 N9 O14 V0.25 W3 Zn3 -","- C6 H8 N9 O14 V0.25 W3 Zn3 -","- C48 H64 N72 O112 V2 W24 Zn24 -","8","0.5","","Yang, Xiya; Zhu, Pei-Pei; Ren, Jing; Chen, Yu-Hao; Li, Xiao; Sha, Jing-Quan; Jiang, Jianzhuang","Surfactant-assisted Synthesis and Electrochemical Properties of Unprecedented Polyoxometalate-constituting Metal-Organic Nanocaged Framework","Chemical Communications","2018","","","","","10.1039/C8CC08559E","","","0.71073","MoKα","","0.0649","0.0583","","","0.1661","0.1707","","","","","","1.047","","","","has coordinates","212283","2020-10-21","18:00:00",""
"7123439","26.657","0.012","26.657","0.012","33.26","0.04","90","","90","","90","","23634","3","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C284 H316 Co16 N36 O140 S12 -","- C248 H172 Co16 N24 O120 S12 -","- C496 H344 Co32 N48 O240 S24 -","2","0.125","","Guo, Ting-Ting; Cheng, Dong-Ming; Yang, Jin; Xu, Xianxiu; Ma, Jian-Fang","Calix[4]resorcinarene-based [Co16] coordination cages mediated by isomorphous auxiliary ligands for enhanced proton conduction","Chemical Communications","2019","","","","","10.1039/C9CC01828J","","","0.71073","MoKα","","0.3469","0.1572","","","0.3902","0.4542","","","","","","0.986","","","","has coordinates","215150","2020-10-21","18:00:00",""
"7123440","26.5726","0.0009","26.5726","0.0009","33.219","0.002","90","","90","","90","","23456","1.8","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C316 H363 Co16 N41 O110 -","- C240 H156 Co16 N24 O92 -","- C480 H312 Co32 N48 O184 -","2","0.125","","Guo, Ting-Ting; Cheng, Dong-Ming; Yang, Jin; Xu, Xianxiu; Ma, Jian-Fang","Calix[4]resorcinarene-based [Co16] coordination cages mediated by isomorphous auxiliary ligands for enhanced proton conduction","Chemical Communications","2019","","","","","10.1039/C9CC01828J","","","0.71073","MoKα","","0.2398","0.1404","","","0.373","0.4139","","","","","","1.198","","","","has coordinates","215150","2020-10-21","18:00:00",""
"7125311","18.282","0.003","18.282","0.003","26.436","0.006","90","","90","","90","","8836","3","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Ca6 Li8 O172 U24 -","- Ca6 Li8 O172 U24 -","- Ca12 Li16 O344 U48 -","2","0.125","","Falaise, Clément; Hickam, Sarah M.; Burns, Peter C.; Nyman, May","From aqueous speciation to supramolecular assembly in alkaline earth-uranyl polyoxometalates.","Chemical communications (Cambridge, England)","2017","53","69","9550","9553","10.1039/c7cc05357f","","","0.71073","MoKα","","0.0811","0.0644","","","0.1621","0.1731","","","","","","1.125","","","","has coordinates","235590","2020-10-21","18:00:00",""
"7125519","13.4375","0.0008","13.4375","0.0008","14.2741","0.0011","90","","90","","90","","2577.4","0.3","200","2","200","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C18 H20 B2 F6 N12 P Ti -","- C18 H20 B2 F6 N12 P Ti -","- C72 H80 B8 F24 N48 P4 Ti4 -","4","0.25","","Kayal, A.; Kuncheria, J.; Lee, S. C.","Bis[hydrotris(pyrazol-1-yl)borato]titanium(II): a stable Tp2M complex of singular reactivity.","Chemical communications (Cambridge, England)","2001","","23","2482","2483","10.1039/b108115b","","","0.71073","MoKα","","0.1179","0.0575","","0.1894","0.1457","","","","1.011","1.066","1.066","","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125947","35.325","0.005","35.325","0.005","49.962","0.01","90","","90","","90","","62345","18","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C336 H240 N48 O48 Pd6 -","- C336 H240 N48 O48 Pd6 -","- C672 H480 N96 O96 Pd12 -","2","0.125","","Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang","Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants.","Chemical communications (Cambridge, England)","2020","56","19","2841","2844","10.1039/c9cc09742b","","","0.75","synchrotron","","0.3047","0.1517","","","0.3986","0.4698","","","","","","0.955","","","","has coordinates","301860","2025-08-22","09:26:40",""
"7126725","12.121","0.004","12.121","0.004","23.73","0.006","90","","90","","90","","3486.4","1.9","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C76 H44 Cu4 N4 O17 -","- C76 H44 Cu4 N4 O17 -","- C152 H88 Cu8 N8 O34 -","2","0.125","","Taggart, Garrett A.; Lorzing, Gregory R.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Synthesis and characterization of low-nuclearity lantern-type porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","63","8924","8927","10.1039/d0cc03266b","","","1.54178","CuKα","","0.1854","0.1521","","","0.4101","0.4514","","","","","","1.792","","","","has coordinates,has disorder","255955","2020-10-21","18:00:00",""
"7126726","12.989","0.0011","12.989","0.0011","23.881","0.002","90","","90","","90","","4029.1","0.6","150","2","150","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C84 H56 Cr4 O19 -","- C84 H56 Cr4 O19 -","- C168 H112 Cr8 O38 -","2","0.125","","Taggart, Garrett A.; Lorzing, Gregory R.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Synthesis and characterization of low-nuclearity lantern-type porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","63","8924","8927","10.1039/d0cc03266b","","","1.54178","CuKα","","0.1742","0.1447","","","0.414","0.4604","","","","","","2.033","","","","has coordinates","255955","2020-10-21","18:00:00",""
"7126727","12.859","0.0004","12.859","0.0004","23.9559","0.0008","90","","90","","90","","3961.2","0.2","200","2","200","","","","","","","","","5","I 4/m","-I 4","87","","","","- C90 H70 Cu4 N2 O19 -","- C90 H70 Cu4 N2 O19 -","- C180 H140 Cu8 N4 O38 -","2","0.125","","Taggart, Garrett A.; Lorzing, Gregory R.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Synthesis and characterization of low-nuclearity lantern-type porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","63","8924","8927","10.1039/d0cc03266b","","","1.54178","CuKα","","0.0863","0.0739","","","0.2047","0.2346","","","","","","1.083","","","","has coordinates,has disorder","255955","2020-10-21","18:00:00",""
"7127862","29.422","0.0004","29.422","0.0004","40.288","0.0009","90","","90","","90","","34875.5","1","103","4","103","4","","","","","","","","7","I 4/m","-I 4","87","","ImBDC-Co","","- C390 H354 Co24 I0.42 N24 O126 S24 -","- C390 H356.4 Co24 I0.42 N24 O126 S24 -","- C780 H712.8 Co48 I0.84 N48 O252 S48 -","2","0.125","","Tong, Hui-Ying; Liang, Jun; Wu, Qiu-Jin; Zou, Yu-Huang; Huang, Yuan-Biao; Cao, Rong","Soluble imidazolium-functionalized coordination cages for efficient homogeneous catalysis of CO<sub>2</sub> cycloaddition reactions.","Chemical communications (Cambridge, England)","2021","57","17","2140","2143","10.1039/d0cc08098e","","x-ray","1.3405","GaKα","","0.1105","0.0875","","","0.2801","0.2982","","","","","","1.154","","","","has coordinates,has disorder","262476","2021-03-05","01:17:24",""
"7127863","29.1997","0.0005","29.1997","0.0005","40.4454","0.0012","90","","90","","90","","34484.7","1.3","293","","293","","","","","","","","","7","I 4/m","-I 4","87","","","","- C390 H343.33 I2.28 N24 Ni24 O126 S24 -","- C390 H347.32 I2.275 N24 Ni24 O126 S24 -","- C780 H694.64 I4.55 N48 Ni48 O252 S48 -","2","0.125","","Tong, Hui-Ying; Liang, Jun; Wu, Qiu-Jin; Zou, Yu-Huang; Huang, Yuan-Biao; Cao, Rong","Soluble imidazolium-functionalized coordination cages for efficient homogeneous catalysis of CO<sub>2</sub> cycloaddition reactions.","Chemical communications (Cambridge, England)","2021","57","17","2140","2143","10.1039/d0cc08098e","","","1.3405","GaKα","","0.1524","0.1121","","","0.3317","0.3583","","","","","","1.325","","","","has coordinates,has disorder","262476","2021-03-05","01:17:24",""
"7128618","16.2776","0.0007","16.2776","0.0007","17.752","0.0009","90","","90","","90","","4703.6","0.4","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- H48 N12 O78 Sb8 V30 -","- H32 N12 O78 Sb8 V30 -","- H64 N24 O156 Sb16 V60 -","2","0.125","","Lühmann, Henning; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Bensch, Wolfgang","Three intersecting {V<sub>12</sub>} rings: {V<sub>30</sub>Sb<sub>8</sub>}, an ultra-large polyoxovanadate cluster shell.","Chemical communications (Cambridge, England)","2021","57","62","7661","7664","10.1039/d1cc03028k","","","0.71073","MoKα","","0.0618","0.0415","","","0.0991","0.1072","","","","","","1.034","","","","has coordinates","268553","2021-09-06","09:15:21",""
"7128634","28.5568","0.0017","28.5568","0.0017","28.6245","0.0015","90","","90","","90","","23343","2","100.01","0.11","100.01","0.11","","","","","","","","5","I 4/m","-I 4","87","","","","- C264 H224 N76 O36 Pd6 -","- C264 H224 N76 O36 Pd6 -","- C528 H448 N152 O72 Pd12 -","2","0.125","","Li, Wen-Yan; Zhao, Chao-Wei; Zhang, Yue-Feng; Guan, Qun; Wan, Jing-Jing; Ma, Jian-Ping; Li, Yan-An; Dong, Yu-Bin","A metal-organic cage-based nanoagent for enhanced photodynamic antitumor therapy.","Chemical communications (Cambridge, England)","2021","57","64","7954","7957","10.1039/d1cc02629a","","x-ray","1.54178","CuKα","","0.1546","0.1005","","","0.2901","0.3516","","","","","","1.057","","","","has coordinates,has disorder","268533","2021-09-06","09:09:54",""
"7129255","12.7015","0.001","12.7015","0.001","32.268","0.003","90","","90","","90","","5205.7","0.8","100","","100","","","","","","","","no","4","I 4/m","-I 4","87","","tetrakis(dipyridylformamidinato)triiron(II) bis(tetrafluoroborate) acetonitrile solvate'","","- C44 H36 Fe3 N16 -","- C44 H36 Fe3 N16 -","- C176 H144 Fe12 N64 -","4","0.25","","Srinivasan, Anandi; Musgrave, Rebecca A.; Rouzieres, Mathieu; Clerac, Rodolphe; McGrady, John E.; Hillard, Elizabeth A.","A Linear Metal-Metal Bonded Tri-Iron Single-Molecule Magnet","Chemical Communications","2021","","","","","10.1039/D1CC05043E","","x-ray","0.71073","MoKα","","0.0629","0.0417","","","0.1134","0.1317","","","","","","1.0663","","","","has coordinates","270695","2021-11-16","22:59:50",""
"7129256","12.8314","0.0005","12.8314","0.0005","32.4133","0.0014","90","","90","","90","","5336.7","0.4","270","2","270","2","","","","","","","no","4","I 4/m","-I 4","87","","tetrakis(dipyridylformamidinato)triiron(II) bis(tetrafluoroborate) acetonitrile solvate","","- C44 H36 Fe3 N16 -","- C44 H36 Fe3 N16 -","- C176 H144 Fe12 N64 -","4","0.25","","Srinivasan, Anandi; Musgrave, Rebecca A.; Rouzieres, Mathieu; Clerac, Rodolphe; McGrady, John E.; Hillard, Elizabeth A.","A Linear Metal-Metal Bonded Tri-Iron Single-Molecule Magnet","Chemical Communications","2021","","","","","10.1039/D1CC05043E","","x-ray","0.71073","MoKα","","0.0515","0.0352","","","0.1008","0.1199","","","","","","1.1263","","","","has coordinates","270695","2021-11-16","22:59:51",""
"7130009","23.2672","0.0011","23.2672","0.0011","25.827","0.002","90","","90","","90","","13981.8","1.4","90","","90","","","","","","","","","4","I 4/m","-I 4","87","","","","- C264 H312 O38 Ti13 -","- C264 H312 O38 Ti12.986 -","- C528 H624 O76 Ti25.972 -","2","0.125","","Tian, Yi-Qi; Cui, Yun-Shu; Yu, Wei-Dong; Xu, Cong-Qiao; Yi, Xiao-Yi; Yan, Jun; Li, Jun; Liu, Chao","An Ultrastable Ti-based Metallocalixarene Nanocage Cluster with Photocatalytic Amines Oxidation Activity","Chemical Communications","2022","","","","","10.1039/D2CC01740G","","x-ray","1.34139","GaKα","","0.1096","0.1035","","","0.2083","0.2104","","","","","","1.082","","","","has coordinates,has disorder","274645","2022-04-22","21:52:12",""
"7131540","25.716","0.0011","25.716","0.0011","43.4014","0.0019","90","","90","","90","","28702","2","150","2","150","2","","","","","","","","8","I 4/m","-I 4","87","","Na@Co24","","- C416.5 H560.5 Cl6 Co24 N45.5 Na4 O117.5 S24 -","- C316.001 H308.001 Cl6 Co24 N11.9992 Na3.9996 O83.9992 S24 -","- C632.002 H616.002 Cl12 Co48 N23.9984 Na7.9992 O167.998 S48 -","2","0.125","","Guo, Yinjuan; Li, Jiahui; Zhao, Guiyan; Chen, Baokuan; Hang, Xinxin; Bi, Yanfeng","Post-synthetic atomically precise single-Cu<sup>II</sup> sites in a thiacalix[4]arene-supported octahedral Na@Co<sub>24</sub> cluster: the Cu-Co synergistic effect for selective photocatalytic conversion of CO<sub>2</sub> to CO.","Chemical communications (Cambridge, England)","2023","59","37","5591","5594","10.1039/d3cc01230a","","","0.71073","MoKα","","0.1269","0.0836","","","0.2456","0.2848","","","","","","1.04","","","","has coordinates,has disorder","284175","2023-06-05","03:36:11",""
"7131541","25.981","0.003","25.981","0.003","43.544","0.005","90","","90","","90","","29393","6","150","2","150","2","","","","","","","","9","I 4/m","-I 4","87","","Cu@Co24","","- C334.5 H337 Cl82.5 Co24 Cu2.5 N8 Na O84.5 S24 -","- C304.001 H280.001 Cl6 Co24 Cu2.5 N7.9992 Na O75.5 S24 -","- C608.002 H560.002 Cl12 Co48 Cu5 N15.9984 Na2 O151 S48 -","2","0.125","","Guo, Yinjuan; Li, Jiahui; Zhao, Guiyan; Chen, Baokuan; Hang, Xinxin; Bi, Yanfeng","Post-synthetic atomically precise single-Cu<sup>II</sup> sites in a thiacalix[4]arene-supported octahedral Na@Co<sub>24</sub> cluster: the Cu-Co synergistic effect for selective photocatalytic conversion of CO<sub>2</sub> to CO.","Chemical communications (Cambridge, England)","2023","59","37","5591","5594","10.1039/d3cc01230a","","","0.71073","MoKα","","0.1106","0.0728","","","0.2099","0.2482","","","","","","1","","","","has coordinates,has disorder","284175","2023-06-05","03:36:16",""
"7133086","7.3846","0.0001","7.3846","0.0001","7.2299","0.0002","90","","90","","90","","394.263","0.013","100","","100","","","","","","","","","4","I 4/m","-I 4","87","","","","- C5 H12 I N -","- C5 H12 I N -","- C10 H24 I2 N2 -","2","0.125","","Möbs, Jakob; Tomori, Ajna; Heine, Johanna","Formation of iminium ions during the processing of metal halide perovskites.","Chemical communications (Cambridge, England)","2024","60","51","6488","6491","10.1039/d4cc01735h","","x-ray","0.71073","MoKα","","0.0205","0.0172","","","0.0365","0.0375","","","","","","1.092","","","","has coordinates,has disorder","292766","2024-07-05","13:12:44",""
"7133637","26.5441","0.0012","26.5441","0.0012","37.881","0.002","90","","90","","90","","26691","2","150","","150","","","","","","","","","5","I 4/m","-I 4","87","","","","- C27 H64 Cu3 N6 O38 -","- C27 H64 Cu3 N6 O38 -","- C432 H1024 Cu48 N96 O608 -","16","1","","Wang, Yi-Chao; Chen, Mo-Han; Fan, Zi-Wen; Wang, Yue; Huang, Cai-Xiang; Wang, Hui-Fang; Lang, Jian-Ping; Niu, Zheng","Enhanced water stability of MOFs <i>via</i> multiple hydrogen bonds and their application in water harvesting.","Chemical communications (Cambridge, England)","2024","60","77","10692","10695","10.1039/d4cc03654a","","","0.71073","MoKα","","0.076","0.0598","","","0.1744","0.1887","","","","","","1.077","","","","has coordinates,has disorder","295110","2024-10-06","05:20:41",""
"7133638","26.5844","0.0017","26.5844","0.0017","38.103","0.004","90","","90","","90","","26929","4","150","","150","","","","","","","","","5","I 4/m","-I 4","87","","","","- C27 H14 Cu3 N6 O13 -","- C27 H14 Cu3 N6 O13 -","- C432 H224 Cu48 N96 O208 -","16","1","","Wang, Yi-Chao; Chen, Mo-Han; Fan, Zi-Wen; Wang, Yue; Huang, Cai-Xiang; Wang, Hui-Fang; Lang, Jian-Ping; Niu, Zheng","Enhanced water stability of MOFs <i>via</i> multiple hydrogen bonds and their application in water harvesting.","Chemical communications (Cambridge, England)","2024","60","77","10692","10695","10.1039/d4cc03654a","","","0.71073","MoKα","","0.0519","0.0423","","","0.1194","0.1252","","","","","","1.053","","","","has coordinates","295110","2024-10-06","05:20:45",""
"7133639","26.7494","0.0006","26.7494","0.0006","38.4189","0.0015","90","","90","","90","","27489.9","1.4","150","","150","","","","","","","","","5","I 4/m","-I 4","87","","","","- C27 H30.41 Cu3 N6 O21.2 -","- C27 H30.41 Cu3 N6 O21.205 -","- C432 H486.56 Cu48 N96 O339.28 -","16","1","","Wang, Yi-Chao; Chen, Mo-Han; Fan, Zi-Wen; Wang, Yue; Huang, Cai-Xiang; Wang, Hui-Fang; Lang, Jian-Ping; Niu, Zheng","Enhanced water stability of MOFs <i>via</i> multiple hydrogen bonds and their application in water harvesting.","Chemical communications (Cambridge, England)","2024","60","77","10692","10695","10.1039/d4cc03654a","","","0.71073","MoKα","","0.0585","0.0473","","","0.1268","0.1353","","","","","","1.057","","","","has coordinates","295110","2024-10-06","05:20:45",""
"7201923","12.914","0.003","12.914","0.003","29.512","0.008","90","","90","","90","","4922","2","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C72 H80 Cd3 Fe4 I6 N24 -","- C72 H80 Cd3 Fe4 I6 N24 -","- C144 H160 Cd6 Fe8 I12 N48 -","2","0.125","","He, Cheng; Zhang, Bingguang; Xie, Lixia; Liu, Yang; Duan, Chunying","Stereoselective association of ferrocene-contained molecular clips in coordination polymers","CrystEngComm","2008","10","6","759","","10.1039/b719509e","","","0.71073","MoKα","","0.1359","0.0711","","","0.149","0.1586","","","","","","1.023","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7202051","10.031","0.0002","10.031","0.0002","29.979","0.0006","90","","90","","90","","3016.52","0.1","120","2","120","2","","","","","","","Roberto Quesada","7","I 4/m","-I 4","87","","","","- C14.5 H33.25 Cl N8 O3 Pt S4 -","- C14.5 H32 Cl N8 O3 Pt S4 -","- C58 H128 Cl4 N32 O12 Pt4 S16 -","4","0.25","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0267","0.0239","","","0.0539","0.0548","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205217","12.159","0.004","12.159","0.004","20.852","0.006","90","","90","","90","","3082.8","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C48 H40 Mo6 N16 Ni2 O19 -","- C48 H40 Mo6 N16 Ni2 O19 -","- C96 H80 Mo12 N32 Ni4 O38 -","2","0.125","","Yang, Guang-Sheng; Zang, Hong-Ying; Lan, Ya-Qian; Wang, Xin-Long; Jiang, Chun-Jie; Su, Zhong-Min; Zhu, Lian-De","Synthesis and characterization of two {Mo6}-based/templated metal‒organic frameworks","CrystEngComm","2011","13","5","1461","","10.1039/c0ce00259c","","","0.71069","MoKα","","0.1238","0.1067","","","0.275","0.297","","","","","","1.055","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7209677","13.4825","0.0004","13.4825","0.0004","9.8363","0.0003","90","","90","","90","","1788.02","0.09","100","","100","","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H32 Cu2 I4 N2 O8 -","- C36 H32 Cu2 I4 N2 O8 -","- C72 H64 Cu4 I8 N4 O16 -","2","0.125","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.12","0.0858","","","0.2484","0.2747","","","","","","1.052","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7210826","28.7527","0.0001","28.7527","0.0001","35.4316","0.0002","90","","90","","90","","29291.9","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","I 4/m","-I 4","87","UHM-7","","","- C228 H120 Cu12 N8 O61 Si6 -","- C228 H120 Cu12 N8 O61 Si6 -","- C912 H480 Cu48 N32 O244 Si24 -","4","0.25","","Frahm, Daniela; Hoffmann, Frank; Fröba, Michael","Linker extensions in metal‒organic frameworks: a way to isoreticular networks or new topologies?","CrystEngComm","2013","15","45","9429","","10.1039/c3ce40594j","","","1.54178","CuKα","","0.1309","0.1159","","","0.3455","0.3876","","","","","","1.791","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210939","29.5937","0.0008","29.5937","0.0008","10.168","0.0005","90","","90","","90","","8905","0.6","296","2","296","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C66 H54 B2 F4 N8 O13 Zn3 -","- C66 H6 B2 F4 N8 O13 Zn3 -","- C264 H24 B8 F16 N32 O52 Zn12 -","4","0.25","","Zhou, Lian; Xue, Yun-Shan; Xu, Yan; Zhang, Jun; Du, Hong-Bin","Two photoluminescent metal‒organic frameworks based on a BODIPY-derived bipyridine ligand","CrystEngComm","2013","15","36","7315","","10.1039/c3ce41002a","","","0.71073","MoKα","","0.1001","0.0771","","","0.2233","0.2415","","","","","","1.1","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211860","20.3711","0.0005","20.3711","0.0005","13.7711","0.0008","90","","90","","90","","5714.8","0.4","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C17 H11 Br Cu6 N12 O6 -","- C17 H11 Br Cu6 N12 O6 -","- C136 H88 Br8 Cu48 N96 O48 -","8","0.5","","Zhang, Zhi-Ling; Shen, Gui-Lan; Cheng, Ying; Ding, You-Bang; Yin, Ye-Gao; Li, Dan","Isomorphic polysupramolecules assembled from mixed valent Cu-triazolate sheets, benzene-1,3,5-tricarboxylates and halides","CrystEngComm","2010","12","4","1171","","10.1039/b915850b","","","0.71073","MoKα","","0.0542","0.0366","","","0.0963","0.1206","","","","","","1.138","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7212011","15.93","0.002","15.93","0.002","15.941","0.004","90","","90","","90","","4045.3","1.2","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C34 H48 F6 N4 O2 S4 Si Zn -","- C30 H36 F6 N4 S4 Si Zn -","- C120 H144 F24 N16 S16 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: chaining cages into a 1-D coordination network","CrystEngComm","2010","12","1","67","","10.1039/b917864c","","","0.71073","MoKα","","0.1147","0.0491","","","0.1194","0.1495","","","","","","1.002","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7220452","31.4206","0.0003","31.4206","0.0003","44.8239","0.0005","90","","90","","90","","44252.6","0.8","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C36 H18 Cu3 N9 O15 -","- C36 H18 Cu3 N9 O15 -","- C576 H288 Cu48 N144 O240 -","16","1","","Wang, Xiao-Jun; Li, Jian; Li, Qiu-Yan; Li, Pei-Zhou; Lu, Han; Lao, Qianying; Ni, Rui; Shi, Yanhui; Zhao, Yanli","A urea decorated (3,24)-connected rht-type metal‒organic framework exhibiting high gas uptake capability and catalytic activity","CrystEngComm","2015","17","25","4632","","10.1039/C5CE00625B","","","1.54184","CuKα","","0.0636","0.0554","","","0.1696","0.1772","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221335","8.49","","8.49","","23.729","","90","","90","","90","","1710.39","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Tl10 Hg3 Cl16","","- Cl16 Hg3 Tl10 -","- Cl16 Hg3 Tl10 -","- Cl32 Hg6 Tl20 -","2","0.125","","Brodersen, K.; Jensen, K.P.; Thiele, G.","Die Kristallstruktur des Tl10 Hg3 Cl16","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","259","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","148583","2020-10-21","18:00:00",""
"7221407","5.55902","","5.55902","","7.885","","90","","90","","90","","243.668","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Fe1.47 Te0.53 O6","","- Fe1.47 O6 Sr2 Te0.53 -","- Fe1.47 O6 Sr2 Te0.53 -","- Fe2.94 O12 Sr4 Te1.06 -","2","0.125","","Augsburger, M.S.; Viola, M.C.; Pedregosa, J.C.; Carbonio, R.E.; Alonso, J.A.","Crystal structure and magnetism of the double perovskites Sr3 Fe2 Te O9 and Ba3 Fe2 Te O9: a neutron diffraction study","Journal of Materials Chemistry","2006","16","","4235","4242","","","","","","","","","","","","","","","","","","","","","","has coordinates","150362","2020-10-21","18:00:00",""
"7221476","14.48","","14.48","","5.25","","90","","90","","90","","1100.77","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K H As2 O4 (H2 O)0.5","","- As2 H2 K O4.5 -","- As2 K O4.5 -","- As16 K8 O36 -","8","0.5","","Fuchs, J.; Guevara, H.","Struktur und Eigenschaften des Kaliumhydrogendiarsenit Hemihydrats, K H As2 O4 (H2 O)0.5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","1344","1348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223491","17.2929","0.0007","17.2929","0.0007","19.8829","0.0012","90","","90","","90","","5945.9","0.5","180","0.2","180","0.2","","","","","","","","4","I 4/m","-I 4","87","CMF-1","","","- Cu6 Mo28 N2 O96 -","- Cu6 Mo28 N2 O96 -","- Cu12 Mo56 N4 O192 -","2","0.125","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.7107","MoKα","","0.0586","0.0402","","","0.1012","0.1081","","","","","","1.03","","","","has coordinates","175948","2020-10-21","18:00:00",""
"7223670","13.742","","13.742","","6.364","","90","","90","","90","","1201.79","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- K5 Te3 -","- K5 Te3 -","- K20 Te12 -","4","0.25","","Schewe, I.; Boettcher, P.","Darstellung und Kristallstruktur des K5 Te3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1990","45","","417","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7223780","14.2377","0.0004","14.2377","0.0004","21.5385","0.0012","90","","90","","90","","4366.1","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H93 Cl Mn6 O31 P8 -","- C36 H84 Cl Mn6 O30 P8 -","- C72 H168 Cl2 Mn12 O60 P16 -","2","0.125","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0661","0.0589","","","0.2101","0.2171","","","","","","1.071","","","","has coordinates","194615","2020-10-21","18:00:00",""
"7223781","14.2649","0.0004","14.2649","0.0004","21.6192","0.0013","90","","90","","90","","4399.2","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H101 Br Mn6 O35 P8 -","- C36 H84 Br Mn6 O35 P8 -","- C72 H168 Br2 Mn12 O70 P16 -","2","0.125","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0778","0.0639","","","0.2","0.2164","","","","","","1.066","","","","has coordinates","194615","2020-10-21","18:00:00",""
"7224070","30.146","0.0005","30.146","0.0005","21.5634","0.0005","90","","90","","90","","19596.4","0.6","150","2","150","2","","","","","","","","8","I 4/m","-I 4","87","{Co16 Cl4 [C40H44S4O4]4 [C13FH6NO4]8}","","","- C264 H224 Cl4 Co16 F8 N8 O48 S16 -","- C264 H56 Cl4 Co16 F8 N8 O48 S16 -","- C528 H112 Cl8 Co32 F16 N16 O96 S32 -","2","0.125","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0908","0.0857","","","0.2686","0.278","","","","","","1.133","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224072","30.163","0.0003","30.163","0.0003","21.6122","0.0004","90","","90","","90","","19662.9","0.5","150","2","150","2","","","","","","","","7","I 4/m","-I 4","87","{Co16 Cl4 [C40H44S4O4]4 [C13H7NO4]8}","","","- C264 H232 Cl4 Co16 N8 O48 S16 -","- C264 H56 Cl4 Co16 N8 O48 S16 -","- C528 H112 Cl8 Co32 N16 O96 S32 -","2","0.125","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.1157","0.1102","","","0.3034","0.311","","","","","","1.111","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224734","15.3248","0.001","15.3248","0.001","23.354","0.003","90","","90","","90","","5484.7","0.9","293","","293","","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H100 Br4 Cu2 N16 O2 -","- C100 H96 Br4 Cu2 N16 O2 -","- C200 H192 Br8 Cu4 N32 O4 -","2","0.125","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","","0.0933","","","","0.1855","","","","","","1.18","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224735","15.2312","0.0008","15.2312","0.0008","23.338","0.002","90","","90","","90","","5414.2","0.6","293","","293","","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H100 Cl4 Cu2 N16 O2 -","- C100 H96 Cl4 Cu2 N16 O2 -","- C200 H192 Cl8 Cu4 N32 O4 -","2","0.125","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","","0.0783","","","","0.1696","","","","","","1.051","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7232934","14.47","0.002","14.47","0.002","28.017","0.006","90","","90","","90","","5866.2","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C33 H16 Mn2 N17 O6 W -","- C33 H16 Mn2 N17 O6 W -","- C132 H64 Mn8 N68 O24 W4 -","4","0.25","","Qian, Jun; Yoshikawa, Hirofumi; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","In situ formed [M(CN)9] (M = W, Mo) as a building block for the construction of two nona-cyanometalate-bridged heterometallic coordination polymers","CrystEngComm","2019","21","29","4363","","10.1039/C9CE00579J","","","0.71073","MoKα","","0.0551","0.0517","","","0.1438","0.1459","","","","","","1.245","","","","has coordinates","223472","2020-10-21","18:00:00",""
"7232935","14.45","0.002","14.45","0.002","28.044","0.006","90","","90","","90","","5855.7","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C45 H44 Mn2 Mo N21 O10 -","- C45 H44 Mn2 Mo N21 O10 -","- C180 H176 Mn8 Mo4 N84 O40 -","4","0.25","","Qian, Jun; Yoshikawa, Hirofumi; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","In situ formed [M(CN)9] (M = W, Mo) as a building block for the construction of two nona-cyanometalate-bridged heterometallic coordination polymers","CrystEngComm","2019","21","29","4363","","10.1039/C9CE00579J","","","0.71073","MoKα","","0.0681","0.0644","","","0.184","0.1879","","","","","","1.098","","","","has coordinates,has disorder","223472","2020-10-21","18:00:00",""
"7235760","13.794","0.005","13.794","0.005","27.262","0.005","90","","90","","90","","5187","3","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H10 N6 O4 Zn2 -","- C16 H10 N6 O4 Zn2 -","- C128 H80 N48 O32 Zn16 -","8","0.5","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0987","0.0792","","","0.1954","0.2037","","","","","","1.094","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7236648","13.985","0.01","13.985","0.01","24.4","0.04","90","","90","","90","","4772","9","195","2","195","2","","","","","","","","7","I 4/m","-I 4","87","","[(TPyP-Zn)2F2Zn2(SiF6)]n","","- C84 H52 Cl12 F8 N16 Si Zn4 -","- C84 H52 Cl12 F8 N16 Si Zn4 -","- C168 H104 Cl24 F16 N32 Si2 Zn8 -","2","0.125","","Lin, Qipu; Mao, Chengyu; Kong, Aiguo; Bu, Xianhui; Zhao, Xiang; Feng, Pingyun","Porphyrinic coordination lattices with fluoropillars","J. Mater. Chem. A","2017","5","40","21189","","10.1039/C7TA06658A","","","0.71073","MoKα","","0.2014","0.0875","","","0.2165","0.278","","","","","","0.992","","","","has coordinates","236384","2020-10-21","18:00:00",""
"7236673","17.7174","0.0011","17.7174","0.0011","22.4865","0.0018","90","","90","","90","","7058.7","0.8","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C24 H8 N0 O28 S4 Zr3 -","- C24 H8 O28 S4 Zr3 -","- C96 H32 O112 S16 Zr12 -","4","0.25","","Nguyen, My V.; Lo, Tien H. N.; Luu, Loc C.; Nguyen, Hue T. T.; Tu, Thach N.","Enhancing proton conductivity in a metal‒organic framework at T > 80 °C by an anchoring strategy","Journal of Materials Chemistry A","2018","6","4","1816","","10.1039/C7TA10148A","","","1.54178","CuKα","","0.115","0.0714","","","0.1898","0.2149","","","","","","0.939","","","","has coordinates,has disorder","236410","2020-10-21","18:00:00",""
"7236674","17.526","0.003","17.526","0.003","22.893","0.003","90","","90","","90","","7031.8","1.9","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C27 H8 N1.8 O28 S4 Zr3 -","- C27 H8 N1.8 O28 S4 Zr3 -","- C108 H32 N7.2 O112 S16 Zr12 -","4","0.25","","Nguyen, My V.; Lo, Tien H. N.; Luu, Loc C.; Nguyen, Hue T. T.; Tu, Thach N.","Enhancing proton conductivity in a metal‒organic framework at T > 80 °C by an anchoring strategy","Journal of Materials Chemistry A","2018","6","4","1816","","10.1039/C7TA10148A","","","1.54178","CuKα","","0.1287","0.0896","","","0.2333","0.2752","","","","","","1.006","","","","has coordinates,has disorder","236410","2020-10-21","18:00:00",""
"7237157","11.6936","0.0009","11.6936","0.0009","8.833","0.0008","90","","90","","90","","1207.83","0.17","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C2 H12 Ag2 N8 O8 -","- C2 H12 Ag2 N8 O8 -","- C8 H48 Ag8 N32 O32 -","4","0.25","","Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.","Taming of tetranitroethane: a promising precursor for high performance energetic ingredients","Journal of Materials Chemistry A","2018","6","32","15815","","10.1039/C8TA05394D","","","0.71073","MoKα","","0.0663","0.0663","","","0.2378","0.2378","","","","","","1.196","","","","has coordinates,has disorder","237460","2020-10-21","18:00:00",""
"7237951","19.7597","0.001","19.7597","0.001","14.6295","0.001","90","","90","","90","","5712","0.6","100","0.1","100","0.1","","","","","","","","7","I 4/m","-I 4","87","","","","- C65.89 H72 Cl6.11 Er4 N5.89 O36 S12 -","- C65.888 H72 Cl6.112 Er4 N5.888 O36 S12 -","- C131.776 H144 Cl12.224 Er8 N11.776 O72 S24 -","2","0.125","","Artizzu, Flavia; Atzori, Matteo; Liu, Jing; Mara, Dimitrije; Van Hecke, Kristof; Van Deun, Rik","Solution-processable Yb/Er 2D-layered metallorganic frameworks with high NIR-emission quantum yields","Journal of Materials Chemistry C","2019","7","36","11207","","10.1039/C9TC03698A","","x-ray","1.54184","CuKα","","0.1828","0.1255","","","0.1707","0.1909","","","","","","1.056","","","","has coordinates,has disorder","238777","2020-10-21","18:00:00",""
"7238633","12.9879","0.0015","12.9879","0.0015","25.025","0.006","90","","90","","90","","4221.4","1.2","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C34 H30 Cd2 N2 O10 Si -","- C34 H30 Cd2 N2 O10 Si -","- C136 H120 Cd8 N8 O40 Si4 -","4","0.25","","Zhao, Xiaoliang; Zhang, Liangliang; Ma, Huiqing; Sun, Di; Wang, Dengxu; Feng, Shengyu; Sun, Daofeng","Solvent-controlled Cd(ii) metal‒organic frameworks constructed from a tetrapodal silicon-based linker","RSC Advances","2012","2","13","5543","","10.1039/c2ra20384g","","","0.71073","MoKα","","0.046","0.0413","","","0.119","0.1221","","","","","","1.103","","","","has coordinates","244265","2020-10-21","18:00:00",""
"7238821","22.045","0.003","22.045","0.003","22.495","0.005","90","","90","","90","","10932","3","386","2","386","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H10 N3 O13 Zn3 -","- C24 H10 N3 O13 Zn3 -","- C192 H80 N24 O104 Zn24 -","8","0.5","","Li, Yun-Wu; Li, Jian-Rong; Wang, Li-Fu; Zhou, Bo-Yu; Chen, Qiang; Bu, Xian-He","Microporous metal‒organic frameworks with open metal sites as sorbents for selective gas adsorption and fluorescence sensors for metal ions","J. Mater. Chem. A","2013","1","3","495","","10.1039/C2TA00635A","","","0.71073","MoKα","","0.0596","0.0461","","","0.1245","0.1316","","","","","","1.045","","","","has coordinates,has disorder","244385","2020-10-21","18:00:00",""
"7240231","19.912","0.004","19.912","0.004","9.5338","0.0017","90","","90","","90","","3780","1.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C29 H42 N3 O12 P2 Zn2 -","- C29 H42 N3 O12 P2 Zn2 -","- C116 H168 N12 O48 P8 Zn8 -","4","0.25","","Goldman, Anna; Gil-Hernández, Beatriz; Millan, Simon; Gökpinar, Serkan; Heering, Christian; Boldog, Ishtvan; Janiak, Christoph","Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology","CrystEngComm","2020","","","","","10.1039/D0CE00275E","","","0.71073","MoKα","","0.1102","0.0748","","","0.2041","0.2229","","","","","","0.976","","","","has coordinates,has disorder","249893","2020-10-21","18:00:00",""
"7240769","12.4441","0.0002","12.4441","0.0002","19.0521","0.0005","90","","90","","90","","2950.32","0.1","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C21 H15 Er8 Na4 O50 -","- C20.25 H14 Er8 Na4 O49 -","- C40.5 H28 Er16 Na8 O98 -","2","0.125","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.0225","0.0199","","","0.0417","0.0425","","","","","","1.095","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240770","12.5792","0.0004","12.5792","0.0004","19.2471","0.0008","90","","90","","90","","3045.59","0.19","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C10.25 H4 Na2 O27.5 Tb4 -","- C10.25 H4 Na2 O27.5 Tb4 -","- C41 H16 Na8 O110 Tb16 -","4","0.25","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.0524","0.0439","","","0.1022","0.105","","","","","","1.255","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240771","12.5277","0.0003","12.5277","0.0003","19.1754","0.0008","90","","90","","90","","3009.45","0.16","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C10.25 H4 Dy4 Na2 O27.5 -","- C10.25 H4 Dy4 Na2 O27.5 -","- C41 H16 Dy16 Na8 O110 -","4","0.25","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.039","0.0309","","","0.0789","0.0824","","","","","","1.104","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240992","17.1313","0.0006","17.1313","0.0006","20.8643","0.0006","90","","90","","90","","6123.3","0.4","123","2","123","2","","","","","","","","6","I 4/m","-I 4","87","","Methyl TPHAP","","- C25 H21 F12 N9 O0.5 P2 -","- C25 H21 F12 N9 O0.5 P2 -","- C200 H168 F96 N72 O4 P16 -","8","0.5","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","0.71073","MoKα","","0.169","0.1137","","","0.3326","0.3747","","","","","","1.314","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7241163","13.7591","0.0006","13.7591","0.0006","24.7686","0.0015","90","","90","","90","","4689","0.4","120","2","120","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C28 H16 Ca2 O10.25 -","- C29 H16 Ca2 O9.44 -","- C116 H64 Ca8 O37.76 -","4","0.25","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","1.54178","CuKα","","0.1404","0.1211","","","0.3851","0.4089","","","","","","1.059","","","","has coordinates,has disorder","258130","2020-10-21","18:00:00",""
"7244019","17.6067","0.0004","17.6067","0.0004","29.9221","0.0015","90","","90","","90","","9275.7","0.6","293","2","296.15","","","","","","","","","7","I 4/m","-I 4","87","","","","- C24 H60 Mo12 N36 Ni7 O60 P -","- C24 H60 Mo12 N36 Ni7 O60 P -","- C96 H240 Mo48 N144 Ni28 O240 P4 -","4","0.25","","Zhuo, Jin-Long; Wang, Yun-Liang; Wang, Yu-Guang; Xu, Ming-Qi; Sha, Jing-Quan","Surfactant-assisted fabrication and supercapacitor performances of a 12-phosphomolybdate-pillared metal–organic framework containing a helix and its SWNT nanocomposites","CrystEngComm","2022","24","3","579","586","10.1039/D1CE01471D","","","0.71073","MoKα","","0.0878","0.053","","","0.1372","0.163","","","","","","1.054","","","","has coordinates","272631","2022-02-04","19:24:49",""
"7246244","26.17","0.005","26.17","0.005","43.516","0.014","90","","90","","90","","29803","13","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Mg24 O78 S24 -","- C312 H288 Mg24 O78 S24 -","- C624 H576 Mg48 O156 S48 -","2","0.125","","Zhang, Jiamao; Deng, Yue; Wang, Shentang; Yang, Jun; Hu, Shanshan","A calixarene-based coordination cage as an efficient luminescent sensor for Fe3+, MnO4−, NB and 2,4-DNP in aqueous medium","CrystEngComm","2023","25","10","1495","1500","10.1039/D2CE01508K","","","0.71073","MoKα","","0.0916","0.0752","","","0.2404","0.2535","","","","","","1.138","","","","has coordinates","282318","2023-04-04","10:09:20",""
"7247202","30.4107","0.0013","30.4107","0.0013","30.414","","90","","90","","90","","28127.2","1.7","120","2","120","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H276 Cu24 N30 O144 -","- C320 H312 Cu24 N40 O144 -","- C640 H624 Cu48 N80 O288 -","2","0.125","","Goswami, Anindita; Dutta, Prantik; Biradha, Kumar","Metal–organic frameworks with open metal sites act as efficient heterogeneous catalysts for Knoevenagel condensation and the Chan–Lam coupling reaction","CrystEngComm","2023","25","36","5092","5099","10.1039/D3CE00663H","","","0.71073","MoKα","","0.1298","0.0585","","","0.1609","0.2118","","","","","","1.182","","","","has coordinates","286737","2023-10-06","00:05:28",""
"7249556","33.0404","0.001","33.0404","0.001","54.083","0.002","90","","90","","90","","59041","3","120.01","0.1","120.01","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C432 H360 Co24 N24 O126 S24 -","- C432 H360 Co24 N24 O126 S24 -","- C864 H720 Co48 N48 O252 S48 -","2","0.125","","Khariushin, Ivan V.; Bulach, Véronique; Ward, Jas S.; Rissanen, Kari; Solovieva, Svetlana E.; Antipin, Igor S.; Ovsyannikov, Alexander S.; Ferlay, Sylvie","Synthesis, crystal structure, and gas sorption studies of two neutral octahedral {MII24}-cages built from sulfonylcalix[4]arene tetranuclear clusters and triazine linkers","CrystEngComm","2024","26","48","6789","6795","10.1039/D4CE00964A","","x-ray","1.54184","CuKα","","0.151","0.0858","","","0.2686","0.3117","","","","","","1.027","","","","has coordinates","297103","2025-01-06","11:46:56",""
"7249557","32.9311","0.0003","32.9311","0.0003","54.0192","0.0006","90","","90","","90","","58581.5","1","120.01","0.1","120.01","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C432 H360 N24 Ni24 O126 S24 -","- C432 H360 N24 Ni24 O126 S24 -","- C864 H720 N48 Ni48 O252 S48 -","2","0.125","","Khariushin, Ivan V.; Bulach, Véronique; Ward, Jas S.; Rissanen, Kari; Solovieva, Svetlana E.; Antipin, Igor S.; Ovsyannikov, Alexander S.; Ferlay, Sylvie","Synthesis, crystal structure, and gas sorption studies of two neutral octahedral {MII24}-cages built from sulfonylcalix[4]arene tetranuclear clusters and triazine linkers","CrystEngComm","2024","26","48","6789","6795","10.1039/D4CE00964A","","x-ray","1.54184","CuKα","","0.1144","0.0895","","","0.2632","0.2982","","","","","","1.029","","","","has coordinates","297103","2025-01-06","11:46:58",""
"7250248","14.3265","0.0005","14.3265","0.0005","24.7933","0.0016","90","","90","","90","","5088.8","0.4","293","2","293","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C14 H26 Cl Co K2 N6 O10 S2 -","- C14 H26 Cl Co K2 N6 O10 S2 -","- C112 H208 Cl8 Co8 K16 N48 O80 S16 -","8","0.5","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0621","0.0435","","","0.1095","0.12","","","","","","1.007","","","","has coordinates","300696","2025-07-06","15:03:09",""
"7251491","12.8268","0.0008","12.8268","0.0008","25.8853","0.0019","90","","90","","90","","4258.8","0.5","200","","200","","","","","","","","","5","I 4/m","-I 4","87","","","","- C12 H11 N9 O4 Zn2 -","- C12 H11 N9 O4 Zn2 -","- C96 H88 N72 O32 Zn16 -","8","0.5","","Bu, Qiyi; Zhang, Yushu; Wang, Li; Liu, Jiaqi; Wang, Yong; Li, Jinping","A triazolate-based MOF with amino-induced triazolate reorientation enabling pore-size regulation for CO2/CH4 separation","CrystEngComm","2026","28","9","1485","1488","10.1039/D5CE01209K","","","1.54178","CuKα","","0.05","0.0455","","","0.1408","0.146","","","","","","1.086","","","","has coordinates","304902","2026-03-05","12:44:11",""
"7251700","19.4171","0.0001","19.4171","0.0001","27.6192","0.0003","90","","90","","90","","10413.1","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","I 4/m","-I 4","87","","","","- C18 H15.2 Er N3 O7.85 -","- C18 H15.2 Er N3 O7.85 -","- C288 H243.2 Er16 N48 O125.6 -","16","1","","Chen, Jie; Kong, Lingfang; Zhang, Qinggang; Shi, Wenjing; Zhang, Shiyong; Qu, Hongen; Xu, Guohai; Zhou, Zhonggao; Chen, Yiwang","Constructing highly reactive Pd nanoparticles with π bonds in imidazolium-based metal–organic frameworks for chemoselective CO2 multicomponent transformation","Green Chemistry","2026","28","3","1691","1703","10.1039/D5GC04311E","","","1.54178","CuKα","","0.0605","0.0581","","","0.1503","0.1515","","","","","","1.126","","","","has coordinates,has disorder","304778","2026-03-04","15:16:04",""
"7700396","33.102","0.003","33.102","0.003","21.711","0.002","90","","90","","90","","23790","4","215","2","215","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C222 H282 N30 O66 Zr6 -","- C132 H60 O36 Zr6 -","- C264 H120 O72 Zr12 -","2","0.125","","Jin, Guanghua; Sensharma, Debobroto; Zhu, Nianyong; Vaesen, Sebastien; Schmitt, Wolfgang","A highly augmented, (12,3)-connected Zr-MOF containing hydrated coordination sites for the catalytic transformation of gaseous CO<sub>2</sub> to cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15487","15492","10.1039/c9dt02117e","","","1.54184","CuKα","","0.0749","0.0577","","","0.1643","0.1762","","","","","","1.066","","","","has coordinates","223897","2020-10-21","18:00:00",""
"7700866","16.2418","0.0004","16.2418","0.0004","12.9864","0.0006","90","","90","","90","","3425.8","0.2","292.79","0.1","292.79","0.1","","","","","","","","5","I 4/m","-I 4","87","","","","- Ba2.67 Cl6 O8 Pb8 Sr0.33 -","- Ba2.66667 Cl6 O8 Pb8 Sr0.333333 -","- Ba16 Cl36 O48 Pb48 Sr2 -","6","0.375","","Li, Zhuang; Zhang, Shengzi; Xing, Wenhao; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Ba<sub>8</sub>SrPb<sub>24</sub>O<sub>24</sub>Cl<sub>18</sub>: the first alkali-earth metal lead(ii) oxyhalide with an intriguing multimember-ring layer.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3667","3671","10.1039/c9dt02839k","","x-ray","0.71073","MoKα","","0.0401","0.0354","","","0.0866","0.0894","","","","","","1.053","","","","has coordinates","250318","2020-10-21","18:00:00",""
"7703004","16.627","0.009","16.627","0.009","19.05","0.01","90","","90","","90","","5267","5","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C84 H112 Cl2 Cu2 N2 O26 S8 -","- C84 H112 Cl2 Cu2 N2 O26 S8 -","- C168 H224 Cl4 Cu4 N4 O52 S16 -","2","0.125","","Kim, Seulgi; Park, In-Hyeok; Choi, Han-Byeol; Ju, Huiyeong; Lee, Eunji; Herng, Tun Seng; Ding, Jun; Jung, Jong Hwa; Lee, Shim Sung","Formation of a four-bladed waterwheel-type chloro-bridged dicopper(ii) complex with dithiamacrocycle via double exo-coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1365","1369","10.1039/c9dt04372a","","","0.71073","MoKα","","0.1124","0.0696","","","0.1995","0.2234","","","","","","1.045","","","","has coordinates","248938","2020-10-21","18:00:00",""
"7704154","10.5246","0.0004","10.5246","0.0004","27.1616","0.0011","90","","90","","90","","3008.6","0.2","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","CoPdCo2Pd(tpda)4Cl2","","- C61 H46 Cl4 Co3 N20 Pd2 -","- C61 H45 Cl4 Co3 N20 Pd2 -","- C122 H90 Cl8 Co6 N40 Pd4 -","2","0.125","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0753","0.045","","","0.1203","0.1384","","","","","","1.087","","","","has coordinates,has disorder","253882","2020-10-21","18:00:00",""
"7704156","10.5398","0.0006","10.5398","0.0006","27.112","0.0014","90","","90","","90","","3011.8","0.3","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","CoPtCo2Pd(tpda)4Cl2","","- C60.5 H45 Cl3 Co3 N20 Pd Pt -","- C60.5 H44.5 Cl3 Co3 N20 Pd Pt -","- C121 H89 Cl6 Co6 N40 Pd2 Pt2 -","2","0.125","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0534","0.0369","","","0.1102","0.1199","","","","","","1.078","","","","has coordinates,has disorder","253882","2020-10-21","18:00:00",""
"7704157","10.5523","0.0004","10.5523","0.0004","27.0046","0.0009","90","","90","","90","","3006.99","0.19","293","2","293","2","","","","","","","","8","I 4/m","-I 4","87","","NiPtCo2Pd(tpda)4Cl2","","- C60.5 H45 Cl3 Co2 N20 Ni Pd Pt -","- C60.5 H44.5 Cl3 Co2 N20 Ni Pd Pt -","- C121 H89 Cl6 Co4 N40 Ni2 Pd2 Pt2 -","2","0.125","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0365","0.0287","","","0.0886","0.0961","","","","","","1.084","","","","has coordinates,has disorder","253882","2020-10-21","18:00:00",""
"7704591","13.8229","0.0011","13.8229","0.0011","24.906","0.002","90","","90","","90","","4758.9","0.7","110","2","110","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C8.25 H7 Ca0.5 O2.62 -","- C8.25 H4 Ca0.5 O2.625 -","- C132 H64 Ca8 O42 -","16","1","","Hu, Falu; Di, Zhengyi; Wu, Mingyan; Li, Jing","Building a robust 3D Ca-MOF by a new square Ca<sub>4</sub>O SBU for purification of natural gas.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8836","8840","10.1039/d0dt00943a","","","1.54184","CuKα","","0.0765","0.0734","","","0.2335","0.2387","","","","","","1.091","","","","has coordinates","254999","2020-10-21","18:00:00",""
"7705131","15.354","0.008","15.354","","22.421","0.015","90","","90","","90","","5286","4","293","2","293.15","","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H32 N11 O17 Yb -","- C48 H32 N11 O17 Yb -","- C192 H128 N44 O68 Yb4 -","4","0.25","","Handzlik, Gabriela; Magott, Michał; Arczyński, Mirosław; Sheveleva, Alena M.; Tuna, Floriana; Baran, Stanisław; Pinkowicz, Dawid","Identical anomalous Raman relaxation exponent in a family of single ion magnets: towards reliable Raman relaxation determination?","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11942","11949","10.1039/d0dt02439b","","","0.71073","MoKα","","0.0402","0.0364","","","0.1084","0.113","","","","","","1.102","","","","has coordinates,has disorder","256108","2020-10-21","18:00:00",""
"7705132","15.3972","0.0016","15.3972","0.0016","22.418","0.004","90","","90","","90","","5314.7","1.2","161","2","293","","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H32 Er N11 O17 -","- C48 H32 Er N11 O17 -","- C192 H128 Er4 N44 O68 -","4","0.25","","Handzlik, Gabriela; Magott, Michał; Arczyński, Mirosław; Sheveleva, Alena M.; Tuna, Floriana; Baran, Stanisław; Pinkowicz, Dawid","Identical anomalous Raman relaxation exponent in a family of single ion magnets: towards reliable Raman relaxation determination?","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11942","11949","10.1039/d0dt02439b","","","0.71073","MoKα","","0.0576","0.0492","","","0.1322","0.1421","","","","","","1.05","","","","has coordinates,has disorder","256108","2020-10-21","18:00:00",""
"7705133","15.2258","0.001","15.2258","0.001","22.1833","0.0016","90","","90","","90","","5142.6","0.6","100","2","100","","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H32 N11 O17 Yb -","- C48 H32 N11 O17 Yb -","- C192 H128 N44 O68 Yb4 -","4","0.25","","Handzlik, Gabriela; Magott, Michał; Arczyński, Mirosław; Sheveleva, Alena M.; Tuna, Floriana; Baran, Stanisław; Pinkowicz, Dawid","Identical anomalous Raman relaxation exponent in a family of single ion magnets: towards reliable Raman relaxation determination?","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11942","11949","10.1039/d0dt02439b","","","0.71073","MoKα","","0.0475","0.0426","","","0.1267","0.1312","","","","","","1.082","","","","has coordinates,has disorder","256108","2020-10-21","18:00:00",""
"7705134","15.2889","0.0014","15.2889","0.0014","22.186","0.002","90","","90","","90","","5186","0.8","120","2","120","","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H32 Er N11 O17 -","- C48 H32 Er N11 O17 -","- C192 H128 Er4 N44 O68 -","4","0.25","","Handzlik, Gabriela; Magott, Michał; Arczyński, Mirosław; Sheveleva, Alena M.; Tuna, Floriana; Baran, Stanisław; Pinkowicz, Dawid","Identical anomalous Raman relaxation exponent in a family of single ion magnets: towards reliable Raman relaxation determination?","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11942","11949","10.1039/d0dt02439b","","","0.71073","MoKα","","0.065","0.0607","","","0.1849","0.1913","","","","","","1.191","","","","has coordinates,has disorder","256108","2020-10-21","18:00:00",""
"7705904","15.619","0.011","15.619","0.011","18.827","0.013","90","","90","","90","","4593","6","130","","130","","","","","","","","","5","I 4/m","-I 4","87","","","","- C78 H100 Ca4 N14 O27 -","- C78 H100 Ca4 N14 O27 -","- C156 H200 Ca8 N28 O54 -","2","0.125","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0861","0.0658","","0.1075","0.1048","0.1048","","","","","","0.9999","","","","has coordinates,has disorder","259705","2020-12-09","03:27:32",""
"7705905","16.8066","0.0005","16.8066","0.0005","17.7945","0.0007","90","","90","","90","","5026.3","0.3","120","","120","","","","","","","","","6","I 4/m","-I 4","87","","","","- C168 H231.99 Cl6 N40 O56 Sr11 -","- C168 H232 Cl6 N40 O56 Sr11 -","- C168 H232 Cl6 N40 O56 Sr11 -","1","0.0625","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0416","0.0416","","0.0683","0.0683","0.0683","","","","","","0.9999","","","","has coordinates","259705","2020-12-09","03:27:33",""
"7705906","16.617","0.002","16.617","0.002","17.448","0.003","90","","90","","90","","4817.8","1.2","130","","130","","","","","","","","","5","I 4/m","-I 4","87","","","","- C63 H79 Ca4 N13 O27 -","- C63 H79 Ca4 N13 O27 -","- C126 H158 Ca8 N26 O54 -","2","0.125","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0707","0.0533","","0.1101","0.1092","0.1092","","","","","","1","","","","has coordinates","259705","2020-12-09","03:27:33",""
"7705911","16.604","0.003","16.604","0.003","18.804","0.004","90","","90","","90","","5184.1","1.7","130","","130","","","","","","","","","6","I 4/m","-I 4","87","","","","- C69 H73 Ba5 Cl3 N15 O29 -","- C69 H73 Ba5 Cl3 N15 O29 -","- C138 H146 Ba10 Cl6 N30 O58 -","2","0.125","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0787","0.0413","","0.0836","0.0787","0.0787","","","","","","0.9472","","","","has coordinates","259705","2020-12-09","03:27:33",""
"7706454","16.8917","0.0006","16.8917","0.0006","7.7823","0.0005","90","","90","","90","","2220.52","0.18","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- F2.5 H16 N6.5 O7 Ru -","- F2.5 H12 N6.25 O6.25 Ru -","- F20 H96 N50 O50 Ru8 -","8","0.5","","Mikhailov, Artem A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Pishchur, Denis P.; Kostin, Gennadiy A.","Remarkable thermal stability of light-induced Ru-ON linkage isomers in mixed salts of a ruthenium amine complex with a <i>trans</i>-ON-Ru-F coordinate.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2864","2871","10.1039/d0dt04323k","","","0.71073","MoKα","","0.0466","0.0459","","","0.113","0.1134","","","","","","1.248","","","","has coordinates,has disorder","262609","2021-03-05","01:56:18",""
"7707521","31.0736","0.0006","31.0736","0.0006","25.0692","0.001","90","","90","","90","","24206","1.2","173","","173","","","","","","","","","5","I 4/m","-I 4","87","","","","- C288 H224 Co16 O100 S16 -","- C288 H224 Co16 O100 S16 -","- C576 H448 Co32 O200 S32 -","2","0.125","","Jin, Yao; Jiang, Hong; Tang, Xianhui; Zhang, Wenqiang; Liu, Yan; Cui, Yong","Coordination-driven self-assembly of anthraquinone-based metal-organic cages for photocatalytic selective [2 + 2] cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8533","8539","10.1039/d1dt00652e","","","1.54178","CuKα","","0.1283","0.0924","","","0.2524","0.2853","","","","","","1.073","","","","has coordinates,has disorder","267135","2021-07-05","17:25:58",""
"7708462","15.4524","0.0007","15.4524","0.0007","25.1756","0.0011","90","","90","","90","","6011.3","0.5","233","2","233","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C102 H126 Ce6 N2 O34 P4 -","- C88 H112 Ce6 O32 P4 -","- C176 H224 Ce12 O64 P8 -","2","0.125","","Christou, George; Russell-Webster, Bradley; Lopez-Nieto, Javi; Abboud, Khalil A.","Phosphorus-based Ligand Effects on the Structure and Radical Scavenging Ability of Molecular Nanoparticles of CeO2","Dalton Transactions","2021","","","","","10.1039/D1DT02667D","","","0.71073","MoKα","","0.0669","0.0456","","","0.1235","0.1373","","","","","","1.044","","","","has coordinates,has disorder","269381","2021-09-29","23:09:09",""
"7711313","19.183","0.002","19.183","0.002","19.669","0.003","90","","90","","90","","7237.9","1.5","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C24 H104 B32 Cu6 N24 O104 V12 -","- C24 H104 B32 Cu6 N24 O104 V12 -","- C48 H208 B64 Cu12 N48 O208 V24 -","2","0.125","","Feng, Yuquan; Zhong, Zhiguo; Meng, Zhaohui; Ma, Keshuan; Wang, Hongwei; Feng, Xun; Wang, Suhong; Yue, Zilong; Zeng, Zhaoge; Zhang, Shuhan","A highly efficient heterogeneous catalyst for selective oxidation of sulfides derived from an open-framework copper borovanadate containing a unique crown-shaped anion","Dalton Transactions","2022","","","","","10.1039/D2DT02575B","","","0.71073","MoKα","","0.1364","0.1098","","","0.2372","0.2467","","","","","","1.082","","","","has coordinates","278053","2022-09-21","22:45:34",""
"7711391","11.9568","0.0002","11.9568","0.0002","16.1148","0.0005","90","","90","","90","","2303.85","0.09","150","","150","","","","","","","","","4","I 4/m","-I 4","87","","","","- C12 H12 B2 O3 -","- C12 H12 B2 O3 -","- C96 H96 B16 O24 -","8","0.5","","Booth, Anna C.; Vasko, Petra; Fuentes, M Ángeles; Cornelissen, Bart; Faulkner, Stephen; Aldridge, Simon","Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02888c","","","1.5418","CuKα","","0.0547","0.0524","","0.1589","0.1537","0.1589","","","","","","0.9261","","","","has coordinates","278341","2022-10-04","22:56:11",""
"7711586","14.65","0.02","14.65","0.02","20.72","0.03","90","","90","","90","","4447","11","","","298","","","","","","","","see text","6","I 4/m","-I 4","87","","","","- C24 H24 Cr N2 O22 Zr3 -","- C24 H24 Cr N2 O22 Zr3 -","- C96 H96 Cr4 N8 O88 Zr12 -","4","0.25","","Pournara, Anastasia; Evangelou, Dimitrios; Roukounaki, Christina; Andreou, Evangelos K.; Armatas, Gerasimos S.; Lazarides, Theodore; Manos, Manolis J.","Highly efficient sorption and luminescence sensing of oxoanionic species by 8-connected alkyl-amino functionalized Zr4+ MOFs","Dalton Transactions","2022","","","","","10.1039/D2DT02848D","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","278840","2022-10-27","22:55:53",""
"7711588","14.655","0.018","14.655","0.018","20.74","0.02","90","","90","","90","","4454","9","","","298","","","","","","","","see text","6","I 4/m","-I 4","87","","","","- C24 H24 Cr4 N2 O30 Zr3 -","- C24 H24 Cr4 N2 O30 Zr3 -","- C96 H96 Cr16 N8 O120 Zr12 -","4","0.25","","Pournara, Anastasia; Evangelou, Dimitrios; Roukounaki, Christina; Andreou, Evangelos K.; Armatas, Gerasimos S.; Lazarides, Theodore; Manos, Manolis J.","Highly efficient sorption and luminescence sensing of oxoanionic species by 8-connected alkyl-amino functionalized Zr4+ MOFs","Dalton Transactions","2022","","","","","10.1039/D2DT02848D","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","278840","2022-10-27","22:55:55",""
"7714810","24.885","0.0012","24.885","0.0012","73.876","0.006","90","","90","","90","","45749","5","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C234 H388 Cl116 N16 Ni24 O88 -","- C176 H272 N16 Ni24 O88 -","- C704 H1088 N64 Ni96 O352 -","4","0.25","","Liu, Guan-Lin; Wu, En-Hsu; Hung, Yu-Ching; Chou, Wei-Chi; Hung, Chia-Hsin; Lin, Chu-Chieh; Ko, Bao-Tsan","Tetracosanuclear nickel complexes as effective catalysts for cycloaddition of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1425","1429","10.1039/d3dt03460g","","","0.71073","MoKα","","0.0963","0.0846","","","0.2303","0.2375","","","","","","1.128","","","","has coordinates","289505","2024-02-04","11:58:05",""
"7714937","28.4778","0.0018","28.4778","0.0018","47.72","0.003","90","","90","","90","","38700","4","120","","120","","","","","","","","","6","I 4/m","-I 4","87","","","","- C600 H928 Fe24 N160 O166 S24 -","- C336 H312 Fe24 N72 O78 S24 -","- C672 H624 Fe48 N144 O156 S48 -","2","0.125","","Dey, Avishek; Dworzak, Michael R.; Korathotage, Kaushalya D. P.; Ghosh, Munmun; Hoq, Jahidul; Montone, Christine M.; Yap, Glenn P. A.; Bloch, Eric D.","Increasing the stability of calixarene-capped porous cages through coordination sphere tuning.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4005","4009","10.1039/d3dt03365a","","","1.54178","CuKα","","0.1609","0.107","","","0.3049","0.3359","","","","","","1.076","","","","has coordinates","290217","2024-03-04","20:26:23",""
"7714938","28.324","0.002","28.324","0.002","47.231","0.006","90","","90","","90","","37891","6","100","","100","","","","","","","","","6","I 4/m","-I 4","87","","","","- C648 H1032 Co24 N176 O182 S24 -","- C336 H304 Co24 N72 O78 S24 -","- C672 H608 Co48 N144 O156 S48 -","2","0.125","","Dey, Avishek; Dworzak, Michael R.; Korathotage, Kaushalya D. P.; Ghosh, Munmun; Hoq, Jahidul; Montone, Christine M.; Yap, Glenn P. A.; Bloch, Eric D.","Increasing the stability of calixarene-capped porous cages through coordination sphere tuning.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4005","4009","10.1039/d3dt03365a","","","1.54178","CuKα","","0.1672","0.116","","","0.313","0.3541","","","","","","1.237","","","","has coordinates","290217","2024-03-04","20:26:32",""
"7715884","18.2472","0.0007","18.2472","0.0007","10.4717","0.0012","90","","90","","90","","3486.7","0.4","100","0.1","100","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C24 H77 Mo8 N24 Na2 O40.5 -","- C24 H36 Mo8 N24 Na2 O20 -","- C48 H72 Mo16 N48 Na4 O40 -","2","0.125","","Dai, Ru-Dan; Xie, Zhen-Lang; Liu, Cheng; Xin, Dong; Zhou, Zhao-Hui","Crown ether-like octanuclear molybdenum(V) clusters for cation binding and gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8980","8987","10.1039/d4dt00825a","","x-ray","1.54184","CuKα","","0.0536","0.0469","","","0.1339","0.1388","","","","","","1.056","","","","has coordinates,has disorder","293144","2024-07-05","16:59:18",""
"7718474","14.4398","0.0013","14.4398","0.0013","7.2843","0.0009","90","","90","","90","","1518.8","0.3","301","","301","","","","","","","","","3","I 4/m","-I 4","87","","","","- Al Ba F5 -","- Al Ba F5 -","- Al16 Ba16 F80 -","16","1","","Liu, Shaohua; Zhang, Lili; Li, Ke; Ma, Xiaotian; Long, Xifa; Yang, Yun","Coordinated assembly of alkali and alkaline earth metals with the perfluorinated [AlF<sub>6</sub>] group to design deep-ultraviolet zero-order waveplate materials.","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7214","7220","10.1039/d5dt00356c","","","0.71073","MoKα","","0.0587","0.0527","","","0.132","0.1355","","","","","","1.251","","","","has coordinates","300927","2025-07-06","16:45:41",""
"7719301","24.0248","0.0006","24.0248","0.0006","35.81","0.0012","90","","90","","90","","20669.2","1","299","","299","","","","","","","","","6","I 4/m","-I 4","87","","","","- C168 H288 F36 Ge84 N68 O176 -","- C168 H288.005 F36 Ge84 N68 O176 -","- C336 H576.01 F72 Ge168 N136 O352 -","2","0.125","","Li, Hao; Xu, Yanan; Zhang, Shiyue; Gu, Pengliang; Hu, Qing; Zhang, Yu; Wang, Wenkai; Shi, Zhan; Fu, Xinyi; Du, Hongbin","Structure-directing synthesis of two germanate cages featuring odd-member ring windows.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13775","13782","10.1039/d5dt01561h","","","1.34139","GaKα","","0.0573","0.0521","","","0.1398","0.143","","","","","","1.061","","","","has coordinates,has disorder","302645","2025-10-06","09:25:27",""
"7719942","35.1781","0.0013","35.1781","0.0013","11.3965","0.0006","90","","90","","90","","14103.2","1","123","2","123","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C20 Cl Ir2 K3.4 O47.63 P W11 -","- C20 Cl Ir2 K3.4 O47.64 P W11 -","- C160 Cl8 Ir16 K27.2 O381.12 P8 W88 -","8","0.5","","Sugiarto, Sugiarto; Shinogi, Jun; Ebied, Sherif E.; Hong, Dachao; Kon, Yoshihiro; Sadakane, Masahiro","Reaction of a Cp*Ir(III) Cation with mono-and di-lacunary Keggintype heterpolytungstates, and dimer of hexa-lacunary Dawsontype phosphopolytungstate","Dalton Transactions","2025","","","","","10.1039/D5DT02418H","","","0.71073","MoKα","","0.0692","0.0519","","","0.1055","0.1119","","","","","","1.087","","","","has coordinates,has disorder","304007","2025-12-03","00:14:47",""
"7720918","9.9043","","9.9043","","2.8986","","90","","90","","90","","284.339","","","","","","","","","","","","","8","I 4/m","-I 4","87","","Barium Lead Manganese Iron Titanium Aluminium Zinc Oxide (0.32/1.03/6.03/1.35/0.49/0.09/0.04/16)","","- Al0.09 Ba0.32 Fe1.35 Mn6.03 O16 Pb1.03 Ti0.49 Zn0.04 -","- Al8 Ba2 Fe8 Mn8 O16 Pb6 Ti8 Zn8 -","- Al8 Ba2 Fe8 Mn8 O16 Pb6 Ti8 Zn8 -","1","0.0625","","Chen, Ze-Hong; Cai, Hui-Min; Feng, Xiao-Shan; Cai, Li-Xuan; Cheng, Ting-Ting; Zhou, Lipeng; Sun, Qing-Fu","Diversified Lanthanide-Directed Self-Assembly of Tritopic Tetradentate Acylhydrazone Ligand","Dalton Transactions","2026","","","","","10.1039/D6DT00576D","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","305614","2026-04-24","01:25:56",""
"8101423","10.7656","0.0012","10.7656","0.0012","3.842","0.0005","90","","90","","90","","445.28","0.09","293","2","293","2","","","","","","","","2","I 4/m","-I 4","87","","","","- Te4 Zr5 -","- Te4 Zr5 -","- Te8 Zr10 -","2","0.125","","Örlygsson, Gissur; Harbrecht, Bernd","Crystal structure of pentazirconium tetratelluride, Zr~5~Te~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","5","6","","","","","","","","0.0151","","","0.0346","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8103389","7.486","","7.486","","7.89","","90","","90","","90","","442.157","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ag Cl O3 -","- Ag Cl O3 -","- Ag8 Cl8 O24 -","8","0.5","","Pocza, J.; Naray-Szabo, S.","Die Struktur des Silberchlorats Ag Cl O3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1942","104","","28","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103502","13.2088","","13.2088","","5.2771","","90","","90","","90","","920.708","","","","","","","","","","","","","5","I 4/m","-I 4","87","","(Al6.57 Mg0.94 H0.87 (P O4)7.5 (H2 O)2.17) ((C3 H7)2 N H)2.193","","- C13.16 Al6.5728 Mg0.9392 O32.168 P7.504 -","- C13.16 Al6.5728 Mg0.9392 O32.168 P7.504 -","- C13.16 Al6.5728 Mg0.9392 O32.168 P7.504 -","1","0.0625","","Baur, W.H.; Bieniok, A.; Joswig, W.; Kassner, D.; Finger, G.; Kornatowski, J.","The crystal structure of the microporous solid MAPO-39 (ATN) refined from single crystal diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","154","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104111","8.828","","8.828","","13.001","","90","","90","","90","","1013.22","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Sb1.07 Tl8.93 Te6","","- Sb1.07 Te6 Tl8.93 -","- Sb1.07 Te6 Tl8.93 -","- Sb2.14 Te12 Tl17.86 -","2","0.125","","Doert, T.; Boettcher, P.","Crystal structure of antimony nonathallium hexatelluride, SbTl9Te6","Zeitschrift fuer Kristallographie (149,1979-)","1994","209","","96","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","164222","2020-10-21","18:00:00",""
"8104117","9.7975","","9.7975","","3.4296","","90","","90","","90","","329.211","","","","","","","","","","","","","2","I 4/m","-I 4","87","","Ta5 As4","","- As4 Ta5 -","- As4 Ta5 -","- As8 Ta10 -","2","0.125","","Dronskowski, R.; Simon, A.; Plambeck-Fischer, P.","Verfeinerung der Kristallstrukturen von Ta5As4 und monoklinem Nb4.7Te4","Zeitschrift fuer Kristallographie (149,1979-)","1992","198","","101","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","164318","2020-10-21","18:00:00",""
"9000110","10.7269","","10.7269","","7.9476","","90","","90","","90","","914.502","","","","","","","","","","","","","4","I 4/m","-I 4","87","","","Narsarsukite","- Na4 O22 Si8 Ti2 -","- Na4 O22 Si8 Ti2 -","- Na8 O44 Si16 Ti4 -","2","0.125","","Peacor, D. R.; Buerger, M. J.","The determination and refinement of the structure of narsarsukite, Na2TiOSi4O10","American Mineralogist","1962","47","","539","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:41",""
"9000130","12.06","","12.06","","7.572","","90","","90","","90","","1101.3","","","","","","","","","","","","","7","I 4/m","-I 4","87","","","Marialite","- Al3.68 Ca0.76 Cl0.95 K0.08 Na3.16 O24 Si8.4 -","- Al3.68 Ca0.76 Cl0.95 K0.08 Na3.16 O24 Si8.4 -","- Al7.36 Ca1.52 Cl1.9 K0.16 Na6.32 O48 Si16.8 -","2","0.125","","Papike, J. J.; Zoltai, T.","The crystal structure of a marialite scapolite","American Mineralogist","1965","50","","641","655","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000144","12.169","","12.169","","7.569","","90","","90","","90","","1120.85","","","","","","","","","","","","","10","I 4/m","-I 4","87","","","Mizzonite","- C0.83 Al5.32 Ca2.68 Cl0.02 K0.44 Mg0.12 Na0.76 O27.09 S0.15 Si6.68 -","- C0.83 Al5.32 Ca2.68 Cl0.02 K0.44 Mg0.12 Na0.76 O27.09 S0.15 Si6.68 -","- C1.66 Al10.64 Ca5.36 Cl0.04 K0.88 Mg0.24 Na1.52 O54.18 S0.3 Si13.36 -","2","0.125","","Papike, J. J.; Stephenson, N. C.","The crystal structure of mizzonite, a calcium- and carbonate-rich scapolite","American Mineralogist","1966","51","","1014","1027","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000764","12.371","","12.371","","7.357","","90","","90","","90","","1125.93","","","","","","","","","","","","","4","I 4/m","-I 4","87","","","Weddellite","- C2 H6 Ca O6.375 -","- C2 H4.75 Ca O6.375 -","- C16 H38 Ca8 O51 -","8","0.5","","Tazzoli, V.; Domeneghetti, M. C.","The crystal structures of whewellite and weddellite: re-examination and comparison","American Mineralogist","1980","65","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:38:56",""
"9001378","14.234","","14.234","","6.103","","90","","90","","90","","1236.51","","","","","","","","","","","","","6","I 4/m","-I 4","87","","","Ashburtonite","- C4 Cl Cu4 O28 Pb4 Si4 -","- C4 Cl Cu4 O28 Pb4 Si4 -","- C8 Cl2 Cu8 O56 Pb8 Si8 -","2","0.125","","Grice, J. D.; Nickel, E. H.; Gault, R. A.","Ashburtonite, a new bicarbonate-silicate mineral from Ashburton Downs, Western Australia: Description and structure determination","American Mineralogist","1991","76","","1701","1707","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001521","9.315","","9.315","","2.723","","90","","90","","90","","236.273","","","","","","","","0","","","","","4","I 4/m","-I 4","87","","","","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al2 K2 O16 Si6 -","2","0.125","","Zhang, J.; Ko, J.; Hazen, R. M.; Prewitt, C. T.","High-pressure crystal chemistry of KAlSi3O8 hollandite Pressure = 0.00 GPa","American Mineralogist","1993","78","","493","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001522","9.285","","9.285","","2.717","","90","","90","","90","","234.236","","","","","","","","1640000","","","","","4","I 4/m","-I 4","87","","","","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al2 K2 O16 Si6 -","2","0.125","","Zhang, J.; Ko, J.; Hazen, R. M.; Prewitt, C. T.","High-pressure crystal chemistry of KAlSi3O8 hollandite Pressure = 1.64 GPa","American Mineralogist","1993","78","","493","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001523","9.261","","9.261","","2.712","","90","","90","","90","","232.598","","","","","","","","2950000","","","","","4","I 4/m","-I 4","87","","","","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al2 K2 O16 Si6 -","2","0.125","","Zhang, J.; Ko, J.; Hazen, R. M.; Prewitt, C. T.","High-pressure crystal chemistry of KAlSi3O8 hollandite Pressure = 2.95 GPa","American Mineralogist","1993","78","","493","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001524","9.247","","9.247","","2.71","","90","","90","","90","","231.724","","","","","","","","3600000","","","","","4","I 4/m","-I 4","87","","","","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al2 K2 O16 Si6 -","2","0.125","","Zhang, J.; Ko, J.; Hazen, R. M.; Prewitt, C. T.","High-pressure crystal chemistry of KAlSi3O8 hollandite Pressure = 3.60 GPa","American Mineralogist","1993","78","","493","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001525","9.237","","9.237","","2.706","","90","","90","","90","","230.882","","","","","","","","4470000","","","","","4","I 4/m","-I 4","87","","","","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al2 K2 O16 Si6 -","2","0.125","","Zhang, J.; Ko, J.; Hazen, R. M.; Prewitt, C. T.","High-pressure crystal chemistry of KAlSi3O8 hollandite Pressure = 4.47 GPa","American Mineralogist","1993","78","","493","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9004136","12.158","","12.158","","7.573","","90","","90","","90","","1119.42","","","","","","","","","","","","","8","I 4/m","-I 4","87","","","Scapolite","- C0.68 Al3.28 Ca2.92 Cl0.03 Na0.92 O26.24 S0.29 Si2.36 -","- C0.68 Al3.28 Ca2.92 Cl0.03 Na0.92 O26.24 S0.29 Si2.36 -","- C1.36 Al6.56 Ca5.84 Cl0.06 Na1.84 O52.48 S0.58 Si4.72 -","2","0.125","","Peterson, R. C.; Donnay, G.; Le Page, Y.","Sulfate disorder in scapolite","The Canadian Mineralogist","1979","17","","53","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004437","12.0396","","12.0396","","7.5427","","90","","90","","90","","1093.33","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","Marialite","- Al3 Cl0.98 Na4 O24 Si9 -","- Al3 Cl0.98 Na4 O24 Si9 -","- Al6 Cl1.96 Na8 O48 Si18 -","2","0.125","","Sokolova, E. V.; Kabalov, Y. K.; Sherriff, B. L.; Teertstra, D. K.; Jenkins, D. M.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Marialite: Rietveld structure-refinement and Si MAS and Al satellite transition NMR spectroscopy Sample: syn-mar","The Canadian Mineralogist","1996","34","","1039","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004438","12.047","","12.047","","7.5602","","90","","90","","90","","1097.21","","","","","","","","","","","","","7","I 4/m","-I 4","87","","","Marialite","- Al3.12 Ca0.2 Cl K0.28 Na3.52 O24 Si8.88 -","- Al3.12 Ca0.2 Cl K0.28 Na3.52 O24 Si8.88 -","- Al6.24 Ca0.4 Cl2 K0.56 Na7.04 O48 Si17.76 -","2","0.125","","Sokolova, E. V.; Kabalov, Y. K.; Sherriff, B. L.; Teertstra, D. K.; Jenkins, D. M.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Marialite: Rietveld structure-refinement and Si MAS and Al satellite transition NMR spectroscopy Sample: PAM-1","The Canadian Mineralogist","1996","34","","1039","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004439","12.0489","","12.0489","","7.5665","","90","","90","","90","","1098.47","","","","","","","","","","","","","8","I 4/m","-I 4","87","","","Marialite","- Al3.24 Ca0.28 Cl0.95 H0.05 K0.28 Na3.44 O24.05 Si8.76 -","- Al3.24 Ca0.28 Cl0.95 H0.05 K0.28 Na3.44 O24.05 Si8.76 -","- Al6.48 Ca0.56 Cl1.9 H0.1 K0.56 Na6.88 O48.1 Si17.52 -","2","0.125","","Sokolova, E. V.; Kabalov, Y. K.; Sherriff, B. L.; Teertstra, D. K.; Jenkins, D. M.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Marialite: Rietveld structure-refinement and Si MAS and Al satellite transition NMR spectroscopy Sample: PAM-2","The Canadian Mineralogist","1996","34","","1039","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004440","12.0546","","12.0546","","7.5684","","90","","90","","90","","1099.79","","","","","","","","","","","","","8","I 4/m","-I 4","87","","","Marialite","- Al3.24 Ca0.28 Cl0.96 H0.04 K0.16 Na3.52 O24.04 Si8.76 -","- Al3.24 Ca0.28 Cl0.96 H0.04 K0.16 Na3.52 O24.04 Si8.76 -","- Al6.48 Ca0.56 Cl1.92 H0.08 K0.32 Na7.04 O48.08 Si17.52 -","2","0.125","","Sokolova, E. V.; Kabalov, Y. K.; Sherriff, B. L.; Teertstra, D. K.; Jenkins, D. M.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Marialite: Rietveld structure-refinement and Si MAS and Al satellite transition NMR spectroscopy Sample: PAM-3","The Canadian Mineralogist","1996","34","","1039","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004464","10.15","","10.15","","2.952","","90","","90","","90","","304.122","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","Redledgeite","- Ba0.561 O8 Ti4 -","- Ba0.561 O8 Ti4 -","- Ba1.122 O16 Ti8 -","2","0.125","","Foley, J. A.; Hughes, J. M.; Drexler, J. W.","Redledgeite, Bax([Cr,Fe,V]2xTi8-2x)O16, the I4/m structure and elucidation of the sequence of tunnel Ba cations","The Canadian Mineralogist","1997","35","","1531","1534","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004497","12.0415","","12.0415","","7.5809","","90","","90","","90","","1099.21","","","","","","","","","","","","","8","I 4/m","-I 4","87","","","Scapolite","- Al3.68 Ca0.84 Cl0.84 K0.04 Na3.12 O24.24 S0.03 Si8.32 -","- Al3.68 Ca0.84 Cl0.84 K0.04 Na3.12 O24.24 S0.03 Si8.32 -","- Al7.36 Ca1.68 Cl1.68 K0.08 Na6.24 O48.48 S0.06 Si16.64 -","2","0.125","","Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Teertstra, D. K.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld structure-refinement Sample: PAM-4","The Canadian Mineralogist","1998","36","","1267","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004555","10.219","","10.219","","2.963","","90","","90","","90","","309.42","","","","","","","","","","","","Kovdor Complex, Russia","8","I 4/m","-I 4","87","","","Henrymeyerite","- Ba0.86 Ce0.02 Fe0.52 K0.01 La0.02 Na0.09 O8 Ti3.44 -","- Ba0.86 Ce0.02 Fe0.52 K0.01 La0.02 Na0.09 O8 Ti3.44 -","- Ba1.72 Ce0.04 Fe1.04 K0.02 La0.04 Na0.18 O16 Ti6.88 -","2","0.125","","Mitchell, R. H.; Yakovenchuk, V. N.; Chakhmouradian, A. R.; Burns, P. C.; Pakhomovsky, Y. A.","Henrymeyerite, a new hollandite-type Ba-Fe titanate from the Kovdor Complex, Russia","The Canadian Mineralogist","2000","38","","617","626","10.2113/gscanmin.38.3.617","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004602","12.1476","","12.1476","","7.5636","","90","","90","","90","","1116.12","","","","","","","","","","","","Bolton, Massachusetts, USA","9","I 4/m","-I 4","87","","","Meionite","- C0.44 Al4.88 Ca2.68 Cl0.07 F0.03 K0.2 Na1.12 O25.32 Si7.12 -","- C0.44 Al4.88 Ca2.68 Cl0.07 F0.03 K0.2 Na1.12 O25.32 Si7.12 -","- C0.88 Al9.76 Ca5.36 Cl0.14 F0.06 K0.4 Na2.24 O50.64 Si14.24 -","2","0.125","","Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Jenkins, D. M.; Kunath-Fandrei G; Goetz, S.; Jager, C.; Schneider, J.","Meionite: Rietveld structure-refinement, Si MAS and Al SATRAS NMR spectroscopy, and comments on the marialite-meionite series Note: sample BOLT","The Canadian Mineralogist","2000","38","","1201","1213","10.2113/gscanmin.38.5.1201","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004603","12.1637","","12.1637","","7.5739","","90","","90","","90","","1120.6","","","","","","","","","","","","Slyudyanka mineral deposit, eastern Siberia, Russia","9","I 4/m","-I 4","87","","","Meionite","- C0.32 Al5.2 Ca3.12 Cl0.01 K0.04 Na0.76 O25.28 S0.16 Si6.8 -","- C0.32 Al5.2 Ca3.12 Cl0.01 K0.04 Na0.76 O25.28 S0.16 Si6.8 -","- C0.64 Al10.4 Ca6.24 Cl0.02 K0.08 Na1.52 O50.56 S0.32 Si13.6 -","2","0.125","","Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Jenkins, D. M.; Kunath-Fandrei G; Goetz, S.; Jager, C.; Schneider, J.","Meionite: Rietveld structure-refinement, Si MAS and Al SATRAS NMR spectroscopy, and comments on the marialite-meionite series Note: sample SL-1","The Canadian Mineralogist","2000","38","","1201","1213","10.2113/gscanmin.38.5.1201","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004604","12.1969","","12.1969","","7.5763","","90","","90","","90","","1127.08","","","","","","","","","","","","Monte Somma, Italy","9","I 4/m","-I 4","87","","","Meionite","- C0.44 Al5.88 Ca3.84 Cl0.01 K0.04 Na0.12 O25.4 S0.02 Si6.12 -","- C0.44 Al5.88 Ca3.84 Cl0.01 K0.04 Na0.12 O25.4 S0.02 Si6.12 -","- C0.88 Al11.76 Ca7.68 Cl0.02 K0.08 Na0.24 O50.8 S0.04 Si12.24 -","2","0.125","","Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Jenkins, D. M.; Kunath-Fandrei G; Goetz, S.; Jager, C.; Schneider, J.","Meionite: Rietveld structure-refinement, Si MAS and Al SATRAS NMR spectroscopy, and comments on the marialite-meionite series Note: sample MONT","The Canadian Mineralogist","2000","38","","1201","1213","10.2113/gscanmin.38.5.1201","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004605","12.2119","","12.2119","","7.5811","","90","","90","","90","","1130.57","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","Meionite","- C0.13 Al1.5 Ca0.96 O6.39 Si1.5 -","- C0.13 Al1.5 Ca0.96 O6.39 Si1.5 -","- C1.04 Al12 Ca7.68 O51.12 Si12 -","8","0.5","","Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Jenkins, D. M.; Kunath-Fandrei G; Goetz, S.; Jager, C.; Schneider, J.","Meionite: Rietveld structure-refinement, Si MAS and Al SATRAS NMR spectroscopy, and comments on the marialite-meionite series Sample: S.MEI, Synthetic","The Canadian Mineralogist","2000","38","","1201","1213","10.2113/gscanmin.38.5.1201","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9005639","11.207","","11.207","","8.166","","90","","90","","90","","1025.62","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","","- F K2 O10 Sc Si4 -","- F K2 O10 Sc Si4 -","- F4 K8 O40 Sc4 Si16 -","4","0.25","","Kolitsch, U.; Tillmanns, E.","The structural relation between the new synthetic silicate K2ScFSi4O10 and narsarsukite, Na2(Ti,Fe3+)(O,F)Si4O10","European Journal of Mineralogy","2004","16","","143","149","10.1127/0935-1221/2004/0016-0143","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007499","10.12","","10.12","","2.96","","90","","90","","90","","303.147","","","","","","","","","","","","Shiti barite deposit, Ankang County, Shaanxi, China","3","I 4/m","-I 4","87","","","Ankangite","- Ba0.4 O8 Ti4 -","- Ba0.4 O8 Ti4 -","- Ba0.8 O16 Ti8 -","2","0.125","","Xiang, Shi-Bin; Fan, Hai-Fu; Wu, Xiao-Jing; Li, Fang-Hua; Pan, Q.","Direct methods in superspace. II The first application to an unknown incommensurate modulated structure Note: this is the average structure, isomorphous with hollandite Note: y-coordinate of O2 altered from .248 to make regular TiO6 polyhedra","Acta Crystallographica, Section A","1990","46","11","929","934","10.1107/S0108767390007607","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007646","10.139","","10.139","","2.9664","","90","","90","","90","","304.944","","","","","","","","","","","","West Kimberley, Australia","7","I 4/m","-I 4","87","","","Priderite","- Ba0.1 Fe0.52 K0.66 Mg0.12 Na0.02 O8 Ti3.36 -","- Ba0.1 Fe0.52 K0.66 Mg0.12 Na0.02 O8 Ti3.36 -","- Ba0.2 Fe1.04 K1.32 Mg0.24 Na0.04 O16 Ti6.72 -","2","0.125","","Post, J. E.; Von Dreele, R. B.; Buseck, P. R.","Symmetry and cation displacements in hollandites: structure refinements of hollandite, cryptomelane and priderite Note: Anisotropic displacement factors from ICSD","Acta Crystallographica, Section B","1982","38","","1056","1065","10.1107/S0567740882004968","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009497","6.87","","6.87","","13.342","","90","","90","","90","","629.701","","","","","","","","","","","","Tolbachik Main Fracture Eruption, Kamchatka, Russia","7","I 4/m","-I 4","87","","","Vlodavetsite","- Al Ca2 Cl F2 H8 O12 S2 -","- Al Ca2 Cl F2 H8 O12 S2 -","- Al2 Ca4 Cl2 F4 H16 O24 S4 -","2","0.125","","Starova, G. L.; Filatov, S. K.; Matusevich, G. L.; Fundamensky, V. S.","The crystal structure of vlodavetsite, AlCa2(SO4)2F2Cl*4H2O","Mineralogical Magazine","1995","59","","159","162","10.1180/minmag.1995.59.394.16","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009757","10.45","","10.45","","3.9708","","90","","90","","90","","433.621","","","","","","","","","","","","Synthetic","3","I 4/m","-I 4","87","","","Crookesite","- Cu7 Se4 Tl -","- Cu7 Se4 Tl -","- Cu14 Se8 Tl2 -","2","0.125","","Eriksson, L.; Werner, P. E.; Berger, R.; Meerschaut, A.","Structure refinement of TlCu7Se4 from X-ray powder profile data Sample: GH Note: Cell parameters are an average of Table 1 values","Journal of Solid State Chemistry","1991","90","","61","68","10.1016/0022-4596(91)90172-E","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009758","10.45","","10.45","","3.9708","","90","","90","","90","","433.621","","","","","","","","","","","","Synthetic","3","I 4/m","-I 4","87","","","Crookesite","- Cu7 Se4 Tl -","- Cu7 Se4 Tl -","- Cu14 Se8 Tl2 -","2","0.125","","Eriksson, L.; Werner, P. E.; Berger, R.; Meerschaut, A.","Structure refinement of TlCu7Se4 from X-ray powder profile data Sample: STADI/P Note: Cell parameters are an average of Table 1 values","Journal of Solid State Chemistry","1991","90","","61","68","10.1016/0022-4596(91)90172-E","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009759","10.4445","","10.4445","","3.9378","","90","","90","","90","","429.565","","","","","","","","","","","","Skrikerum mine, Sweden","3","I 4/m","-I 4","87","","","Crookesite","- Cu6.52 Se4 Tl -","- Cu6.52 Se4 Tl -","- Cu13.04 Se8 Tl2 -","2","0.125","","Eriksson, L.; Werner, P. E.; Berger, R.; Meerschaut, A.","Structure refinement of TlCu7Se4 from X-ray powder profile data Sample: Single crystal","Journal of Solid State Chemistry","1991","90","","61","68","10.1016/0022-4596(91)90172-E","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010507","12.16711","","12.16711","","7.575466","","90","","90","","90","","1121.46","","","","298.15","","","","","","","","","7","I 4/m","-I 4","87","","","Meionite","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C1.668 Al9.36 Ca6.352 Na1.648 O54.168 S0.292 Si14.64 -","2","0.125","","Antao, S. M.; Hassan, I.","Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature T = 25 C (HRPXRD)","American Mineralogist","2008","93","","1470","1477","10.2138/am.2008.2789","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010508","12.1667","","12.1667","","7.5758","","90","","90","","90","","1121.44","","","","299.15","","","","","","","","","7","I 4/m","-I 4","87","","","Meionite","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C1.668 Al9.36 Ca6.352 Na1.648 O54.168 S0.292 Si14.64 -","2","0.125","","Antao, S. M.; Hassan, I.","Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature T = 26 C","American Mineralogist","2008","93","","1470","1477","10.2138/am.2008.2789","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010509","12.1736","","12.1736","","7.5757","","90","","90","","90","","1122.69","","","","","","","","","","","","","7","I 4/m","-I 4","87","","","Meionite","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C1.668 Al9.36 Ca6.352 Na1.648 O54.168 S0.292 Si14.64 -","2","0.125","","Antao, S. M.; Hassan, I.","Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature T = 101","American Mineralogist","2008","93","","1470","1477","10.2138/am.2008.2789","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010510","12.1834","","12.1834","","7.5761","","90","","90","","90","","1124.56","","","","","","","","","","","","","7","I 4/m","-I 4","87","","","Meionite","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C1.668 Al9.36 Ca6.352 Na1.648 O54.168 S0.292 Si14.64 -","2","0.125","","Antao, S. M.; Hassan, I.","Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature T = 196","American Mineralogist","2008","93","","1470","1477","10.2138/am.2008.2789","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010511","12.195","","12.195","","7.5771","","90","","90","","90","","1126.85","","","","","","","","","","","","","7","I 4/m","-I 4","87","","","Meionite","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C1.668 Al9.36 Ca6.352 Na1.648 O54.168 S0.292 Si14.64 -","2","0.125","","Antao, S. M.; Hassan, I.","Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature T = 296","American Mineralogist","2008","93","","1470","1477","10.2138/am.2008.2789","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010512","12.2067","","12.2067","","7.578","","90","","90","","90","","1129.15","","","","","","","","","","","","","7","I 4/m","-I 4","87","","","Meionite","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C1.668 Al9.36 Ca6.352 Na1.648 O54.168 S0.292 Si14.64 -","2","0.125","","Antao, S. M.; Hassan, I.","Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature T = 396","American Mineralogist","2008","93","","1470","1477","10.2138/am.2008.2789","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010513","12.2192","","12.2192","","7.5792","","90","","90","","90","","1131.64","","","","","","","","","","","","","7","I 4/m","-I 4","87","","","Meionite","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C1.668 Al9.36 Ca6.352 Na1.648 O54.168 S0.292 Si14.64 -","2","0.125","","Antao, S. M.; Hassan, I.","Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature T = 494","American Mineralogist","2008","93","","1470","1477","10.2138/am.2008.2789","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010514","12.2322","","12.2322","","7.5806","","90","","90","","90","","1134.26","","","","","","","","","","","","","7","I 4/m","-I 4","87","","","Meionite","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C1.668 Al9.36 Ca6.352 Na1.648 O54.168 S0.292 Si14.64 -","2","0.125","","Antao, S. M.; Hassan, I.","Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature T = 594","American Mineralogist","2008","93","","1470","1477","10.2138/am.2008.2789","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010515","12.2475","","12.2475","","7.5823","","90","","90","","90","","1137.35","","","","","","","","","","","","","7","I 4/m","-I 4","87","","","Meionite","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C1.668 Al9.36 Ca6.352 Na1.648 O54.168 S0.292 Si14.64 -","2","0.125","","Antao, S. M.; Hassan, I.","Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature T = 694","American Mineralogist","2008","93","","1470","1477","10.2138/am.2008.2789","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010516","12.2618","","12.2618","","7.5841","","90","","90","","90","","1140.28","","","","","","","","","","","","","7","I 4/m","-I 4","87","","","Meionite","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C0.834 Al4.68 Ca3.176 Na0.824 O27.084 S0.146 Si7.32 -","- C1.668 Al9.36 Ca6.352 Na1.648 O54.168 S0.292 Si14.64 -","2","0.125","","Antao, S. M.; Hassan, I.","Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature T = 793","American Mineralogist","2008","93","","1470","1477","10.2138/am.2008.2789","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010517","12.2778","","12.2778","","7.5861","","90","","90","","90","","1143.56","","","","","","","","","","","","","7","I 4/m","-I 4","87","","","Meionite","- C0.834 Al4.08 Ca3.176 Na0.824 O27.084 S0.146 Si7.92 -","- C0.834 Al4.08 Ca3.176 Na0.824 O27.084 S0.146 Si7.92 -","- C1.668 Al8.16 Ca6.352 Na1.648 O54.168 S0.292 Si15.84 -","2","0.125","","Antao, S. M.; Hassan, I.","Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature T = 900","American Mineralogist","2008","93","","1470","1477","10.2138/am.2008.2789","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011346","11.152","","11.152","","16.24","","90","","90","","90","","2019.72","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","Paceite","- C8 H24 Ca Cu O14 -","- C8 H24 Ca Cu O14 -","- C32 H96 Ca4 Cu4 O56 -","4","0.25","","Klop, E. A.; Duisenberg, A. J. M.; Spek, A. L.","Reinvestigation of the structure of calcium copper acetate hexahydrate, CaCu(C2H3O2)4*6H2O","Acta Crystallographica, Section C","1983","39","","1342","1344","10.1107/S010827018300846X","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011805","12.16","","12.16","","7.56","","90","","90","","90","","1117.86","","","","","","","","","","","","McBride Province, Australia","7","I 4/m","-I 4","87","","","Silvialite","- C0.478 Al4.872 Ca2.452 Na1.548 O27.524 S0.522 Si7.128 -","- C0.478 Al4.872 Ca2.452 Na1.548 O27.524 S0.522 Si7.128 -","- C0.956 Al9.744 Ca4.904 Na3.096 O55.048 S1.044 Si14.256 -","2","0.125","","Teertstra, D. K.; Schindler, M.; Sherriff, B. L.; Hawthorne, F. C.","Silvialite, a new sulfate-dominant member of the scapolite group with an Al-Si composition near the I4/m-P42/n phase transition","Mineralogical Magazine","1999","63","","321","329","10.1180/002646199548547","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9013322","12.16559","","12.16559","","7.57446","","90","","90","","90","","1121.03","","","","","","","","","","","","Slyudyanka, Siberia, Russia","7","I 4/m","-I 4","87","","","Meionite","- C0.668 Al5.16 Ca3.248 Na0.752 O26.948 S0.235 Si6.84 -","- C0.668 Al5.16 Ca3.248 Na0.752 O26.948 S0.235 Si6.84 -","- C1.336 Al10.32 Ca6.496 Na1.504 O53.896 S0.47 Si13.68 -","2","0.125","","Antao, S. M.; Hassan, I.; Wang, J.; Lee, P. L.; Toby, B. H.","State-of-the-art high-resolution powder x-ray diffraction (HRPXRD) illustrated with Rietveld structure refinement of quartz, sodalite, tremolite, and meionite Locality: Slyudyanka, Siberia, Russia","The Canadian Mineralogist","2008","46","","1501","1509","10.3749/canmin.46.5.1501","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013323","12.057","","12.057","","7.5644","","90","","90","","90","","1099.65","","","","","","","","","","","","Pamir, Tajikistan","9","I 4/m","-I 4","87","","","Scapolite","- C0.01 Al3.12 Ca0.2 Cl0.98 K0.28 Na3.52 O24.07 S0.01 Si8.88 -","- C0.01 Al3.12 Ca0.2 Cl0.98 K0.28 Na3.52 O24.07 S0.01 Si8.88 -","- C0.02 Al6.24 Ca0.4 Cl1.96 K0.56 Na7.04 O48.14 S0.02 Si17.76 -","2","0.125","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pamir, Tajikistan Note: S1","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013324","12.0541","","12.0541","","7.5682","","90","","90","","90","","1099.67","","","","","","","","","","","","Pamir, Tajikistan","9","I 4/m","-I 4","87","","","Scapolite","- C0.03 Al3.2 Ca0.28 Cl0.96 K0.24 Na3.48 O24.13 S0.01 Si8.8 -","- C0.03 Al3.2 Ca0.28 Cl0.96 K0.24 Na3.48 O24.13 S0.01 Si8.8 -","- C0.06 Al6.4 Ca0.56 Cl1.92 K0.48 Na6.96 O48.26 S0.02 Si17.6 -","2","0.125","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pamir, Tajikistan Note: S2","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013325","12.0566","","12.0566","","7.5696","","90","","90","","90","","1100.33","","","","","","","","","","","","Pamir, Tajikistan","9","I 4/m","-I 4","87","","","Scapolite","- C0.03 Al3.28 Ca0.36 Cl0.95 K0.24 Na3.44 O24.17 S0.02 Si8.72 -","- C0.03 Al3.28 Ca0.36 Cl0.95 K0.24 Na3.44 O24.17 S0.02 Si8.72 -","- C0.06 Al6.56 Ca0.72 Cl1.9 K0.48 Na6.88 O48.34 S0.04 Si17.44 -","2","0.125","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pamir, Tajikistan Note: S3","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013326","12.0538","","12.0538","","7.5714","","90","","90","","90","","1100.08","","","","","","","","","","","","Pamir, Tajikistan","9","I 4/m","-I 4","87","","","Scapolite","- C0.05 Al3.2 Ca0.32 Cl0.94 K0.24 Na3.44 O24.19 S0.01 Si8.8 -","- C0.05 Al3.2 Ca0.32 Cl0.94 K0.24 Na3.44 O24.19 S0.01 Si8.8 -","- C0.1 Al6.4 Ca0.64 Cl1.88 K0.48 Na6.88 O48.38 S0.02 Si17.6 -","2","0.125","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pamir, Tajikistan Note: S4","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013327","12.0471","","12.0471","","7.5793","","90","","90","","90","","1100","","","","","","","","","","","","Pamir, Tajikistan","9","I 4/m","-I 4","87","","","Scapolite","- C0.08 Al3.52 Ca0.6 Cl0.89 K0.12 Na3.28 O24.36 S0.03 Si8.56 -","- C0.08 Al3.52 Ca0.6 Cl0.89 K0.12 Na3.28 O24.36 S0.03 Si8.56 -","- C0.16 Al7.04 Ca1.2 Cl1.78 K0.24 Na6.56 O48.72 S0.06 Si17.12 -","2","0.125","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pamir, Tajikistan Note: S5","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013328","12.045","","12.045","","7.5826","","90","","90","","90","","1100.1","","","","","","","","","","","","Pamir, Tajikistan","9","I 4/m","-I 4","87","","","Scapolite","- C0.13 Al3.68 Ca0.84 Cl0.85 K0.04 Na3.12 O40.51 S0.03 Si8.4 -","- C0.13 Al3.68 Ca0.84 Cl0.85 K0.04 Na3.12 O40.51 S0.03 Si8.4 -","- C0.26 Al7.36 Ca1.68 Cl1.7 K0.08 Na6.24 O81.02 S0.06 Si16.8 -","2","0.125","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pamir, Tajikistan Note: S6","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013338","12.1713","","12.1713","","7.5801","","90","","90","","90","","1122.92","","","","","","","","","","","","Sluydyanka, Russia","9","I 4/m","-I 4","87","","","Scapolite","- C2.84 Al5.16 Ca3.12 Cl0.02 K0.04 Na0.84 O53.6 S0.27 Si6.84 -","- C2.84 Al5.16 Ca3.12 Cl0.02 K0.04 Na0.84 O53.6 S0.27 Si6.84 -","- C5.68 Al10.32 Ca6.24 Cl0.04 K0.08 Na1.68 O107.2 S0.54 Si13.68 -","2","0.125","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Sluydyanka, Russia Note: S16","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013339","12.205","","12.205","","7.5816","","90","","90","","90","","1129.37","","","","","","","","","","","","Monte Somma, Italy","9","I 4/m","-I 4","87","","","Scapolite","- C3.64 Al5.48 Ca3.52 Cl0.07 K0.16 Na0.32 O47 S0.02 Si6.52 -","- C3.64 Al5.48 Ca3.52 Cl0.07 K0.16 Na0.32 O47 S0.02 Si6.52 -","- C7.28 Al10.96 Ca7.04 Cl0.14 K0.32 Na0.64 O94 S0.04 Si13.04 -","2","0.125","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Monte Somma, Italy Note: S17","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9013340","12.2077","","12.2077","","7.5832","","90","","90","","90","","1130.11","","","","","","","","","","","","Royal Ontario Museum","9","I 4/m","-I 4","87","","","Scapolite","- C3.76 Al5.64 Ca3.72 Cl0.03 K0.12 Na0.2 O47.4 S0.03 Si6.4 -","- C3.76 Al5.64 Ca3.72 Cl0.03 K0.12 Na0.2 O47.4 S0.03 Si6.4 -","- C7.52 Al11.28 Ca7.44 Cl0.06 K0.24 Na0.4 O94.8 S0.06 Si12.8 -","2","0.125","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Royal Ontario Museum Note: S18","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9016080","10.139","","10.139","","2.961","","90","","90","","90","","304.389","","","","","","","","","","","","Shiti barite deposit, Ankang County, Shaanxi, China","4","I 4/m","-I 4","87","","","Ankangite","- Ba0.295 O4 Ti1.3 V0.7 -","- Ba0.295 O4 Ti1.3 V0.7 -","- Ba1.18 O16 Ti5.2 V2.8 -","4","0.25","","Shi, N.; Ma, Z.; Liu, W.","Crystal structure determination of ankangite with one dimensional incommensurate modulation","Acta Petrologica et Mineralogica","1991","10","","233","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016667","9.815","","9.815","","2.847","","90","","90","","90","","274.264","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Mn O2 -","- Mn O2 -","- Mn8 O16 -","8","0.5","","Kondrashev, Y. D.; Zaslavskii, A. I.","The structure of the modifications of manganese oxide","Izvestiya Akademii Nauk SSSR","1951","15","","179","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9016974","12.3363","","12.3363","","7.3448","","90","","90","","90","","1117.76","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.27 Ca O6.135 -","- C2 H4.27 Ca O6.135 -","- C16 H34.16 Ca8 O49.08 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 1","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016975","12.3543","","12.3543","","7.3547","","90","","90","","90","","1122.54","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.4 Ca O6.2 -","- C2 H4.4 Ca O6.2 -","- C16 H35.2 Ca8 O49.6 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 2","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016976","12.3462","","12.3462","","7.3535","","90","","90","","90","","1120.88","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.38 Ca O6.19 -","- C2 H4.38 Ca O6.19 -","- C16 H35.04 Ca8 O49.52 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 3","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016977","12.353","","12.353","","7.3594","","90","","90","","90","","1123.02","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.39 Ca O6.195 -","- C2 H4.39 Ca O6.195 -","- C16 H35.12 Ca8 O49.56 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 4","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016978","12.3528","","12.3528","","7.3569","","90","","90","","90","","1122.6","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.4 Ca O6.2 -","- C2 H4.4 Ca O6.2 -","- C16 H35.2 Ca8 O49.6 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 5","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016979","12.3542","","12.3542","","7.3604","","90","","90","","90","","1123.39","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.39 Ca O6.195 -","- C2 H4.39 Ca O6.195 -","- C16 H35.12 Ca8 O49.56 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 6","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016980","12.3565","","12.3565","","7.3592","","90","","90","","90","","1123.62","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.47 Ca O6.235 -","- C2 H4.47 Ca O6.235 -","- C16 H35.76 Ca8 O49.88 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 7","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016981","12.3443","","12.3443","","7.3599","","90","","90","","90","","1121.51","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.43 Ca O6.215 -","- C2 H4.43 Ca O6.215 -","- C16 H35.44 Ca8 O49.72 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 8","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016982","12.3573","","12.3573","","7.3587","","90","","90","","90","","1123.69","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.46 Ca O6.23 -","- C2 H4.46 Ca O6.23 -","- C16 H35.68 Ca8 O49.84 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 9","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016983","12.3558","","12.3558","","7.3601","","90","","90","","90","","1123.64","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.39 Ca O6.195 -","- C2 H4.39 Ca O6.195 -","- C16 H35.12 Ca8 O49.56 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 10","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016984","12.3576","","12.3576","","7.3578","","90","","90","","90","","1123.61","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.52 Ca O6.26 -","- C2 H4.52 Ca O6.26 -","- C16 H36.16 Ca8 O50.08 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 11","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016985","12.3567","","12.3567","","7.3573","","90","","90","","90","","1123.37","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.51 Ca O6.255 -","- C2 H4.51 Ca O6.255 -","- C16 H36.08 Ca8 O50.04 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 12","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016986","12.3622","","12.3622","","7.3603","","90","","90","","90","","1124.83","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.52 Ca O6.26 -","- C2 H4.52 Ca O6.26 -","- C16 H36.16 Ca8 O50.08 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 13","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016987","12.363","","12.363","","7.346","","90","","90","","90","","1122.79","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.54 Ca O6.27 -","- C2 H4.54 Ca O6.27 -","- C16 H36.32 Ca8 O50.16 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 14","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016988","12.362","","12.362","","7.3574","","90","","90","","90","","1124.35","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.55 Ca O6.275 -","- C2 H4.55 Ca O6.275 -","- C16 H36.4 Ca8 O50.2 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 15","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016989","12.3627","","12.3627","","7.3574","","90","","90","","90","","1124.48","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.58 Ca O6.29 -","- C2 H4.58 Ca O6.29 -","- C16 H36.64 Ca8 O50.32 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 16","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016990","12.3783","","12.3783","","7.3659","","90","","90","","90","","1128.62","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.69 Ca O6.345 -","- C2 H4.69 Ca O6.345 -","- C16 H37.52 Ca8 O50.76 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 17","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9017688","8.9599","","8.9599","","11.822","","90","","90","","90","","949.068","","","","","","","","","","","","Lukkulaisvaara intrusion, northern Russian Karelia, Russia","3","I 4/m","-I 4","87","","","Lukkulaisvaaraite","- Ag2 Pd14 Te9 -","- Ag2 Pd14 Te9 -","- Ag4 Pd28 Te18 -","2","0.125","","Vymazalova, A.; Grokhovskaya, T. L.; Laufek, F.; Rassulov, V. A.","Lukkulaisvaaraite, Pd14Ag2Te9, a new mineral from Lukkulaisvaara intrusion, northern Russian Karelia, Russia","Mineralogical Magazine","2014","78","","1743","1754","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""