# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-08T02:20:00+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -3 c 1' 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
"1001001","12.08","0.07","12.08","0.07","9.86","0.05","90","","90","","120","","1246.1","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Dirubidium germanium tecto-octaoxotetragermanate","","- Ge4 O9 Rb2 -","- Ge4 O9 Rb2 -","- Ge24 O54 Rb12 -","6","0.5","","Goreaud, M; Raveau, B","Structure cristalline de Rb~2~ Ge~4~ O~9~ et Rb~2~ Ti Ge~3~ O~9~ de type tetragermanate et etude structurale comparee de germanates en anneaux","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1536","1540","10.1107/S0567740876005724","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001002","12.19","0.05","12.19","0.05","10.14","0.08","90","","90","","120","","1304.9","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dirubidium titanium cyclo-trigermanate","","- Ge3 O9 Rb2 Ti -","- Ge3 O9 Rb2 Ti -","- Ge18 O54 Rb12 Ti6 -","6","0.5","","Goreaud, M; Raveau, B","Structure cristalline de Rb~2~ Ge~4~ O~9~ et Rb~2~ Ti Ge~3~ O~9~ de type tetragermanate et etude structurale comparee de germanates en anneaux","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1536","1540","10.1107/S0567740876005724","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001118","11.916","","11.916","","10.018","","90","","90","","120","","1231.9","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dipotassium titanium cyclo-trigermanate","","- Ge3 K2 O9 Ti -","- Ge3 K2 O9 Ti -","- Ge18 K12 O54 Ti6 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001119","12.195","","12.195","","10.148","","90","","90","","120","","1307","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","DIRUBIDIUM TITANIUM CYCLO-TRIGERMANATE","","- Ge3 O9 Rb2 Ti -","- Ge3 O9 Rb2 Ti -","- Ge18 O54 Rb12 Ti6 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001120","12.082","","12.082","","10.181","","90","","90","","120","","1287.1","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dipotassium tin(IV) cyclo-trigermanate","","- Ge3 K2 O9 Sn -","- Ge3 K2 O9 Sn -","- Ge18 K12 O54 Sn6 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001121","12.305","","12.305","","10.205","","90","","90","","120","","1338.2","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dirubidium tin(IV) cyclo-trigermanate","","- Ge3 O9 Rb2 Sn -","- Ge3 O9 Rb2 Sn -","- Ge18 O54 Rb12 Sn6 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001122","12.351","","12.351","","10.134","","90","","90","","120","","1338.8","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dithallium tin(IV) cyclo-trigermanate","","- Ge3 O9 Sn Tl2 -","- Ge3 O9 Sn Tl2 -","- Ge18 O54 Sn6 Tl12 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001226","9.802","","9.802","","13.004","","90","","90","","120","","1082","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","SODIUM IRON TRINEPTUNIUM(IV) FLUORIDE","","- F15 Fe Na Np3 -","- F15 Fe Na Np3 -","- F60 Fe4 Na4 Np12 -","4","0.333333","","Cousson, A; Abazli, H; Pages, M; Gasperin, M","Structure de Na Fe Np~3~ F~15~","Acta Crystallographica B (24,1968-38,1982)","1982","38","","2668","2670","10.1107/S0567740882009546","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008215","5.177","","5.177","","14.168","","90","","90","","120","","328.8","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Cobalt oxoniobate","","- Co4 Nb2 O9 -","- Co4 Nb2 O9 -","- Co8 Nb4 O18 -","2","0.166667","","Bertaut, E F; Corliss, L; Forrat, F; Aleonard, R; Pauthenet, R","Etude de niobates et tantalates de metaux transition bivalents","Journal of Physics and Chemistry of Solids","1961","21","","234","251","10.1016/0022-3697(61)90103-2","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008216","5.335","","5.335","","14.32","","90","","90","","120","","353","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Manganese niobate","","- Mn4 Nb2 O9 -","- Mn4 Nb2 O9 -","- Mn8 Nb4 O18 -","2","0.166667","","Bertaut, E F; Corliss, L; Forrat, F; Aleonard, R; Pauthenet, R","Etude de niobates et tantalates de metaux transition bivalents","Journal of Physics and Chemistry of Solids","1961","21","","234","251","10.1016/0022-3697(61)90103-2","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008924","5.177","","5.177","","14.168","","90","","90","","120","","328.8","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Tetramanganese diniobium oxide","","- Mn4 Nb2 O9 -","- Mn4 Nb2 O9 -","- Mn8 Nb4 O18 -","2","0.166667","","Bertaut, F; Corliss, L; Forrat, F","Structure cristallographique et magnetique de niobates et tantalates de metaux de transition bivalents.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1960","251","","1733","1735","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008925","5.177","","5.177","","14.168","","90","","90","","120","","328.8","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Tetracobalt diniobium oxide","","- Co4 Nb2 O9 -","- Co4 Nb2 O9 -","- Co8 Nb4 O18 -","2","0.166667","","Bertaut, F; Corliss, L; Forrat, F","Structure cristallographique et magnetique de niobates et tantalates de metaux de transition bivalents.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1960","251","","1733","1735","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010037","7.07","","7.07","","7.135","","90","","90","","120","","308.9","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","Copper(I) phosphide","","- Cu3 P -","- Cu3 P -","- Cu18 P6 -","6","0.5","","Steenberg, B","The Crystal Structure of Cu~3~ As and Cu~3~ P","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","2","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010982","7.088","","7.088","","7.232","","90","","90","","120","","314.7","","","","","","","","","","","","synthetic","2","P -3 c 1","-P 3 2""c","165","","Copper(I) arsenide","Domeykite high","- As Cu3 -","- As Cu3 -","- As6 Cu18 -","6","0.5","","Steenberg, B","The Crystal Structure of Cu3 As and Cu3 P","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","2","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100260","15.3323","0.0004","15.3323","0.0004","25.4556","0.0014","90","","90","","120","","5182.37","","","","193","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","Iodo-tris(triphenylphosphineimine)-sodium tetrahydrofuran solvate","","- C56 H52 I N3 Na O0.5 P3 -","- C182 H180 I N9 Na O4.5 P9 -","- C728 H720 I4 N36 Na4 O18 P36 -","4","0.333333","","Gröb, Thorsten; Müller, Christoph; Massa, W.; Miekisch, Thomas; Seybert, Gert; Harms, Klaus; Dehnicke, Kurt","Die Kristallstrukturen der Phosphanimin-Komplexe [NaI(HNPPh~3~)~3~] und [SrI~2~(HNPPh~3~)~2~(THF)~2~] sowie des Natrium-triphenylphosphaniminats [NaNPPh~3~]~6~","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","9","2191","2197","10.1002/1521-3749(200109)627:9<2191::AID-ZAAC2191>3.0.CO;2-T","","","","","","","4.17","","","4.17","","","","","","","","","","","has coordinates","176966","2020-10-21","18:00:00",""
"1509260","14.007","0.008","14.007","0.008","18.333","0.008","90","","90","","120","","3115","3","","","","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Oxonium fac-tris(N,N'-dimethyl-violurato-N,O)-ruthenium(ii) hexahydrate","","- C18 H33 N9 O19 Ru -","- C18 H18 N9 O19 Ru -","- C72 H72 N36 O76 Ru4 -","4","0.333333","","M. Angustias Romero; Juan M. Salas; Michel Simard; Miguel Quirós; André L. Beauchamp","Platinum Group Metal - Ketoxime Complexes: Crystal Structure of Hydrogen fac-Tris(dimethylviolurato)ruthenate(II) Heptahydrate","Polyhedron","1990","9","","2733","2739","10.1016/S0277-5387(00)86804-7","","","","","","","0.036","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510235","8.072","","8.072","","8.488","","90","","90","","120","","478.959","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","","","- Au Mg3 -","- Au Mg3 -","- Au6 Mg18 -","6","0.5","","Daams, J.L.C.; van Vucht, J.H.N.","Contribution to the system Mg-Au-Hg","Philips Journal of Research","1984","39","","275","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510236","8.04","","8.04","","8.46","","90","","90","","120","","473.602","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","","","- Au Mg3 -","- Au Mg3 -","- Au6 Mg18 -","6","0.5","","van Look, N.; Schubert, K.","Kristallstrukturuntersuchungen im System Au-Mg und einigen verwandten Legierungen","Metall (Berlin)","1969","23","","4","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1513868","16.2739","0.0003","16.2739","0.0003","23.1328","0.0005","90","","90","","120","","5305.69","0.18","120","","120","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Cr Fe N3 P4 -","- C48 H60 Cr Fe N3 P4 -","- C192 H240 Cr4 Fe4 N12 P16 -","4","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr–M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0514","0.0323","","0.0985","0.0852","0.0985","","","","","","0.9917","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513869","16.2999","0.0006","16.2999","0.0006","22.8438","0.0009","90","","90","","120","","5256.2","0.3","120","","120","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Co Cr N3 P4 -","- C48 H60 Co Cr N3 P4 -","- C192 H240 Co4 Cr4 N12 P16 -","4","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr–M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0431","0.0306","","0.0968","0.0819","0.0968","","","","","","1.0465","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513876","12.9479","0.0005","12.9479","0.0005","16.3112","0.0005","90","","90","","120","","2368.18","0.15","122","1","122","1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C27 H27 Er N4 O3 -","- C27 H27 Er N4 O3 -","- C108 H108 Er4 N16 O12 -","4","0.333333","","Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan","Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation","Chemical Science","2014","5","4","1650","","10.1039/c3sc53044b","","","0.71073","MoKα","","0.0365","0.0203","","","","0.0472","","","","","","1.0199","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1514804","16.3841","0.0005","16.3841","0.0005","22.8729","0.0009","90","","90","","120","","5317.4","0.3","120","","120","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Fe N3 P4 V -","- C48 H60 Fe N3 P4 V -","- C192 H240 Fe4 N12 P16 V4 -","4","0.333333","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium–iron complexes featuring metal–metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.0446","0.0324","","0.0993","0.0871","0.0993","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515862","28.3688","0.0003","28.3688","0.0003","12.3891","0.0002","90","","90","","120","","8634.8","0.19","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C13 H44 Cu N6 O13 S2 -","- C12.5 H32 Cu N6 O10.5 S2 -","- C150 H384 Cu12 N72 O126 S24 -","12","1","","Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy","Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry","Chemical Science","2010","1","1","62","","10.1039/c0sc00264j","","","1.54178","CuKα","","0.1324","0.0909","","","0.2439","0.2694","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519678","11.9445","0.0007","11.9445","0.0007","13.2162","0.0014","90","","90","","120","","1633","0.2","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C6 H24 Cd Cl2 N36 O8 -","- C6 H24 Cd Cl2 N36 O8 -","- C12 H48 Cd2 Cl4 N72 O16 -","2","0.166667","","Wang, Kun; Zeng, Dihao; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Li, Zhi-Min; Jin, Xin","Controllable explosion: fine-tuning the sensitivity of high-energy complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12497","12501","10.1039/c5dt01462j","","","0.71073","MoKα","","0.0294","0.0228","","","0.0682","0.0756","","","","","","0.951","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1520968","6.4662","","6.4662","","6.717","","90","","90","","120","","243.223","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","","","- Gd H3 -","- Gd H3 -","- Gd6 H18 -","6","0.5","","Ellner, M.; Mittemeijer, E.J.; Reule, H.","The structure of the trihydride Gd H3","Journal of Alloys Compd.","2000","309","","127","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521722","6.18313","","6.18313","","14.8645","","90","","90","","120","","492.15","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Ba3 (Bi2 Te O9)","","- Ba3 Bi2 O9 Te -","- Ba3 Bi2 O9 Te -","- Ba6 Bi4 O18 Te2 -","2","0.166667","","Park, J.-H.; Woodward, P.M.","Synthesis, structure and optical properties of two new perovskites:Ba2 Bi2/3 Te O6 and Ba3 Bi2 Te O9","International Journal of Inorganic Materials","2000","2","","153","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524044","11.729","","11.729","","19.278","","90","","90","","120","","2296.75","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","K2 Ba (Ge4 O9)2","","- Ba Ge8 K2 O18 -","- Ba Ge8 K2 O18 -","- Ba6 Ge48 K12 O108 -","6","0.5","","Baumgartner, O.; Voellenkle, H.","Die Kristallstruktur des tetragermanats K2 Ba (Ge4 O9)2","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1978","109","","1145","1153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524299","5.79","","5.79","","14.515","","90","","90","","120","","421.41","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","K In (W O4)2","","- In K O8 W2 -","- In K O8 W2 -","- In2 K2 O16 W4 -","2","0.166667","","Efremov, V.A.; Velikodnyi, Yu.A.; Trunov, V.K.","Trigonal binary tungstates and molybdates of alkali and trivalent elements","Kristallografiya","1972","17","","1135","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525590","13.85","","13.85","","18.493","","90","","90","","120","","3072.12","","","","","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Na4.11 (In8 (H P O4)14 (H2 O)6) (H2 O)12.03","","- H50.06 In8 Na4.11 O74.03 P14 -","- H25.998 In8 Na4.11 O74.03 P14 -","- H51.996 In16 Na8.22 O148.06 P28 -","2","0.166667","","Attfield, M.P.; Cheetham, A.K.; Natarajan, S.","The direct synthesis and characterization of the pillared layer indium phosphate Na4 (In8 (H P O4)14 (H2 O)6) * 12(H2 O)","Materials Research Bulletin","2000","35","","1007","1015","","","","","","","","","","","","","","","","","","","","","","has coordinates","146607","2020-10-21","18:00:00",""
"1525957","9.8842","","9.8842","","4.4805","","90","","90","","120","","379.088","","","","","","","","","","","","","1","P -3 c 1","-P 3 2""c","165","","","","- Ba -","- Ba -","- Ba6 -","6","0.5","","El Abed, A.; Perez-Mato, J.M.; Elqebbaj, S.E.; Darriet, J.; Champeaux, M.; Zakhour, M.","Crystal structure of a modulated composite structure with two subsystems: Ba1.1064 Co O3","Journal of Solid State Chemistry","2001","161","","300","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526245","8.088","","8.088","","8.74","","90","","90","","120","","495.136","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Rh (Si2 P3 O13)","","- O13 P3 Rh Si2 -","- O13 P3 Rh Si2 -","- O26 P6 Rh2 Si4 -","2","0.166667","","Hanawa, M.; Imoto, H.; Kobayashi, T.","Silicophosphates of rhodium and indium","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","216","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526351","6.6581","","6.6581","","6.8778","","90","","90","","120","","264.047","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","Nd D3","","- D3 Nd -","- D3 Nd -","- D18 Nd6 -","6","0.5","","Renaudin, G.; Fischer, P.; Yvon, K.","Neodymium trihydride, Nd H3, with tysonite type structure","Journal of Alloys Compd.","2000","313","","10","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526777","5.5671","","5.5671","","22.4603","","90","","90","","120","","602.843","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Ba La4 (Ti4 O15)","","- Ba La4 O15 Ti4 -","- Ba La4 O15 Ti4 -","- Ba2 La8 O30 Ti8 -","2","0.166667","","Teneze, N.; Trolliard, G.; Mercurio, D.; Frit, B.","Cation-deficient perovskite-related compounds (Ba, La)n Tin-1 O3n (n=4,5 and 6): a Rietveld refinement from neutron powder diffraction data","Materials Research Bulletin","2000","35","","1603","1614","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526786","5.1612","","5.1612","","14.028","","90","","90","","120","","323.614","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- Mg4 Nb2 O9 -","- Mg4 Nb2 O9 -","- Mg8 Nb4 O18 -","2","0.166667","","Kumada, N.; Taki, K.; Kinomura, N.","Single crystal structure refinement of a magnesium niobium oxide: Mg4 Nb2 O9","Materials Research Bulletin","2000","35","","1017","1021","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527835","6.34","","6.34","","6.6","","90","","90","","120","","229.749","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","Y D3","","- D3 Y -","- D3 Y -","- D18 Y6 -","6","0.5","","Miron, N.F.; Shcherbak, V.I.; Bykov, V.N.; Levdik, V.A.","Neutron diffraction study of yttrium trihydride","Kristallografiya","1972","17","","404","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528090","9.6064","","9.6064","","10.42","","90","","90","","120","","832.76","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Li3 In O3","","- In Li3 O3 -","- In Li3 O3 -","- In12 Li36 O36 -","12","1","","Stewner, F.; Hoppe, R.","Kationenreiche Oxide. Die Kristallstruktur von Li3 In O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","374","","239","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528716","6.308","","6.308","","6.56","","90","","90","","120","","226.057","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","Ho D3","","- D3 Ho -","- D3 Ho -","- D18 Ho6 -","6","0.5","","Mansmann, M.; Wallace, W.E.","The Structure of Ho D3","Journal de Physique (Paris)","1964","25","","454","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529684","7.2","","7.2","","7.376","","90","","90","","120","","331.144","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","La F3","","- F3 La -","- F3 La -","- F18 La6 -","6","0.5","","Brach, I.; Schulz, H.","Determination of the Diffusion Path in the Ionic Conductor La F3","Solid State Ionics","1985","15","","135","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531032","7.07","","7.07","","22.75","","90","","90","","120","","984.806","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","K3 Rh (S C N)6","","- K3 Rh -","- K3 Rh -","- K6 Rh2 -","2","0.166667","","Zvonkova, Z.V.","The Crystal Structure of Rhodates. 8. The Crystal Structure of the Complex Rhodium Hexarhodanites","Zhurnal Fizicheskoi Khimii","1953","27","","100","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1531187","7.454","","7.454","","10.066","","90","","90","","120","","484.358","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Rb2 (Sn (O O H)6)","","- H6 O12 Rb2 Sn -","- O12 Rb2 Sn -","- O24 Rb4 Sn2 -","2","0.166667","","Churakov, A.V.; Prikhodchenko, P.V.; Ippolitov, E.G.; Antipin, M.Yu.","Crystal structure of rubidium hexahydroperoxostannate","Zhurnal Neorganicheskoi Khimii","2002","47","","73","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531236","10.1409","","10.1409","","4.3163","","90","","90","","120","","384.411","","","","","","","","","","","","","1","P -3 c 1","-P 3 2""c","165","","","","- Ba -","- Ba -","- Ba6 -","6","0.5","","Burley, J.C.; Battle, P.D.; Jordan, N.A.; Weill, F.; Sloan, J.","Synthesis and structural characterization of Ba14 Pd3 Ir8 O33","Journal of Solid State Chemistry","2003","174","","96","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532319","7.305","","7.305","","7.478","","90","","90","","120","","345.586","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","La F3","","- F3 La -","- F3 La -","- F18 La6 -","6","0.5","","Winkler, B.; Knorr, K.; Milman, V.","Prediction of the structure of La F3 at high pressures","Journal of Alloys Compd.","2003","349","","111","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532451","10.0431","","10.0431","","4.5405","","90","","90","","120","","396.616","","","","","","","","","","","","","1","P -3 c 1","-P 3 2""c","165","","(Ba8 Co Rh6 O21)0.1429","","- Ba1.14 -","- Ba1.14 -","- Ba6.84 -","6","0.5","","zur Loye, H.C.; Smith, M.D.; Stitzer, K.E.","Structure determination of Ba8 Co Rh6 O21, a new member of the 2H-perovskite related oxides","Materials Research Society Symposia Proceedings","2001","658","","GG1.4.1","GG1.4.7","","","","","","","","","","","","","","","","","","","","","","has coordinates","158167","2020-10-21","18:00:00",""
"1532545","9.5964","","9.5964","","3.93007","","90","","90","","120","","313.435","","","","","","","","","","","","","1","P -3 c 1","-P 3 2""c","165","","Sr1.32 (Mn0.677) (Mn0.149 Cu0.174) O3","","- Sr1.32 -","- Sr1.32 -","- Sr7.92 -","6","0.5","","Abakumov, A.M.; Mironov, A.V.; Govorov, V.A.; Antipov, E.V.; Lebedev, O.I.; Rozova, M.G.; Lobanov, M.V.; van Tendeloo, G.","Synthesis and structural investigations on thhe new Sr1.32 Mn0.83 Cu0.17 O3 compound","Solid State Sciences","2003","5","","1117","1125","","","","","","","","","","","","","","","","","","","","","","has coordinates","158474","2020-10-21","18:00:00",""
"1532698","9.6403","","9.6403","","21.2396","","90","","90","","120","","1709.46","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Sr10.5 Rh7.5 O24","","- O24 Rh7.5 Sr10.5 -","- O24 Rh7.5 Sr10.5 -","- O72 Rh22.5 Sr31.5 -","3","0.25","","Boulahya, K.; Hernando, M.; Varela, A.; Parras, M.; Gonzalez-Calbet, J.M.; Amador, U.","Strategies to stabilize new members of the (A3 A' B O6)alpha (A3 B3 O9)beta. Homologous series in the Sr - Rh - O system: structure of the one-dimensional (alpha = 3, beta = 2) (Sr10 (Sr0.5 Rh1.5)TP (Rh6)Oh) O24 oxide","Chemistry - A European Journal","2002","8","","4973","4979","","","","","","","","","","","","","","","","","","","","","","has coordinates","158654","2020-10-21","18:00:00",""
"1533457","5.1022","","5.1022","","32.569","","90","","90","","120","","734.26","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Li6.87 Nb2.34 Ti5.78 O21","","- Li6.87 Nb2.34 O21 Ti5.78 -","- Li6.866 Nb2.342 O21 Ti5.792 -","- Li13.732 Nb4.684 O42 Ti11.584 -","2","0.166667","","Grey, I.E.; Roth, R.S.; Li, C.; Bordet, P.","Phase stability and non-stoichiometry in M-phase solid solutions in the system Li O0.5 - Nb O2.5 - Ti O2","Journal of Solid State Chemistry","2004","177","","660","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","159702","2020-10-21","18:00:00",""
"1533569","5.1864","","5.1864","","14.1445","","90","","90","","120","","329.496","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Zn4 (Nb2 O9)","","- Nb2 O9 Zn4 -","- Nb2 O9 Zn4 -","- Nb4 O18 Zn8 -","2","0.166667","","Tarakina, N.V.; Tyutyunnik, A.P.; Hannerz, H.; D'yachkova, T.V.; Zubkov, V.G.; Zainulin, Yu.G.; Svensson, G.","High temperature/high pressure synthesis and crystal structure of the new corundum related compound Zn4 Nb2 O9","Solid State Sciences","2003","5","","459","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","159823","2020-10-21","18:00:00",""
"1534353","8.36","","8.36","","15.3","","90","","90","","120","","926.05","","","","","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","Ca3 (Ti.8 Sn.2) ((As3 Si Be O10)2)","","- As6 Be2 Ca3 O20 Si2 Sn0.2 Ti0.8 -","- As6 Be2 Ca3 O20 Si2 Sn0.2 Ti0.8 -","- As12 Be4 Ca6 O40 Si4 Sn0.4 Ti1.6 -","2","0.166667","","Cannillo, E.; Giuseppetti, G.; Tadini, C.; Carobbi, S.G.","The Crystal Structure of Asbecasite","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1969","46","","457","467","","","","","","","","","","","","","","","","","","","","","","has coordinates","160997","2020-10-21","18:00:00",""
"1535285","5.8997","","5.8997","","15.89","","90","","90","","120","","478.977","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Al3 C (B C2)","","- C3 Al3 B -","- C3 Al3 B -","- C18 Al18 B6 -","6","0.5","","Hillebrecht, H.; Meyer, F.D.","Synthese, Kristallstruktur und Schwingungsspecktren von Al3 B C3, einem Carbidcarboborat des Aluminiums mit dem linearen Anion (C=B=C)5-","Angewandte Chemie (German Edition)","1996","108","","2655","2657","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535801","8.783","","8.783","","9.518","","90","","90","","120","","635.861","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Li3 Sc F6","","- F6 Li3 Sc -","- F6 Li3 Sc -","- F36 Li18 Sc6 -","6","0.5","","Tyagi, A.K.; Koehler, J.; Balog, P.; Weber, J.","Synthesis and structures of Li3 Sc F6 and high pressure Li Sc F4, luminescence properties of Li Sc F4, a new phase in the system Li F - Sc F3","Journal of Solid State Chemistry","2005","178","","2620","2625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536793","7.188","","7.188","","7.369","","90","","90","","120","","329.728","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","La0.85 Sr0.15 F2.85","","- F2.85 La0.85 Sr0.15 -","- F2.85 La0.85 Sr0.15 -","- F17.1 La5.1 Sr0.9 -","6","0.5","","Radaev, S.F.; Sobolev, B.P.; Muradyan, L.A.; Krivandina, E.A.; Bydanov, N.N.; Simonov, V.I.; Maksimov, B.A.; Sarin, V.A.","Neutron diffraction study of a non-stoichiometric phase of La0.85Sr0.15F2.85","Kristallografiya","1991","36","","369","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","164660","2020-10-21","18:00:00",""
"1538447","12.311","","12.311","","4.663","","90","","90","","120","","612.044","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","Ni5 P2","","- Ni5.09067 P1.998 -","- Ni5.09067 P1.998 -","- Ni30.544 P11.988 -","6","0.5","","Oryshchyn, S.; Babizhet'sky, V.S.; Guerin, P.; Chikhrii, S.I.; Aksel'rud, L.G.; Stojko, S.; Kuz'ma, Yu.B.; Bauer, D.","Crystal structure of Ni5 P2","Neorganicheskie Materialy","2004","40","","450","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","166998","2020-10-21","18:00:00",""
"1541856","11.88","","11.88","","12.68","","90","","90","","120","","1549.82","","","","","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Na3.2 P O4 Cl.2 (H2 O)11","","- Cl0.201 H15 Na3.2 O15.001 P -","- Cl0.201 H15 Na3.2 O15.001 P -","- Cl0.804 H60 Na12.8 O60.004 P4 -","4","0.333333","","Larbot, A.; Durand, J.; le Cot, L.","Trisodium orthophosphate - sodium chloride - water (5/1/55), Na3 P O4 * 11 H2 O * 1/5 Na Cl","Crystal Structure Communications","1981","10","","55","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541989","10.0176","","10.0176","","14.089","","90","","90","","120","","1224.44","","","","","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","((C H3)4 N)2 (Mo6 O19)","","- C8 H24 Mo6 N2 O19 -","- C8 H24 Mo6 N2 O19 -","- C16 H48 Mo12 N4 O38 -","2","0.166667","","Ghammami, S.","The crystal and molecular structure of bis(tetramethylammonium) hexamolybdate(VI)","Crystal Research and Technology","2003","38","","913","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1542313","35.224","0.0014","35.224","0.0014","43.354","0.002","90","","90","","120","","46584","3","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C350 H327 F24 N51 O27 S8 Zn10 -","- C345 H327 F9 N51 O12 S3 Zn10 -","- C1380 H1308 F36 N204 O48 S12 Zn40 -","4","0.333333","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","0.6889","synchrotron","","0.1292","0.1034","","","0.2721","0.2977","","","","","","1.129","","","","has coordinates,has disorder","181587","2020-10-21","18:00:00",""
"1548076","11.8653","0.0003","11.8653","0.0003","22.3848","0.0009","90","","90","","120","","2729.24","0.15","110","2","110","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C36 H72 As2 Ge7 K2 N4 O12 -","- C36 H72 As2.0007 Ge6.9984 K2 N4 O12 -","- C72 H144 As4.0014 Ge13.9968 K4 N8 O24 -","2","0.166667","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.109","0.0521","","","0.0983","0.1048","","","","","","0.958","","","","has coordinates","203259","2020-10-21","18:00:00",""
"1553102","10.786","0.0004","10.786","0.0004","17.286","0.0007","90","","90","","120","","1741.59","0.12","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 Ru Sb2 -","- C30 H24 F12 N6 Ru Sb2 -","- C60 H48 F24 N12 Ru2 Sb4 -","2","0.166667","","Gomes, Filipe; Narbonne, Vanessa; Blanchard, Florent; Maestri, Giovanni; Malacria, Max","Formal base-free homolytic aromatic substitutions via photoredox catalysis","Organic Chemistry Frontiers","2015","2","5","464","","10.1039/C5QO00031A","","","0.71073","MoKα","","0.0862","0.0515","","","0.1511","0.1877","","","","","","1.218","","","","has coordinates","233598","2020-10-21","18:00:00",""
"1554028","25.335","0.005","25.335","0.005","9.7336","0.0014","90","","90","","120","","5410.6","1.7","100","1.2","100","2","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","","","- C50 H38 -","- C50 H38 -","- C300 H228 -","6","0.5","","Hathwar, Venkatesha R.; Thomsen, Maja K.; Mamakhel, Mohammad Aref H.; Filsø, Mette Ø; Overgaard, Jacob; Iversen, Bo B.","Electron Density Analysis of the ""O-O"" Charge-Shift Bonding in Rubrene Endoperoxide.","The journal of physical chemistry. A","2016","120","38","7510","7518","10.1021/acs.jpca.6b06588","","x-ray","0.71073","MoKα","","0.0761","0.059","","","0.1326","0.1454","","","","","","1.05","","","","has coordinates","236457","2020-10-21","18:00:00",""
"1556383","20.8644","0.0004","20.8644","0.0004","52.9489","0.0013","90","","90","","120","","19961.8","0.7","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C99 H102 N9 O6 P Zn3 -","- C99 H102 N9 O6 P Zn3 -","- C792 H816 N72 O48 P8 Zn24 -","8","0.666667","","Jacobs, Ivo; van Duin, Adri C. T.; Kleij, Arjan W.; Kuil, Mark; Tooke, Duncan M.; Spek, Anthony L.; Reek, Joost N. H.","Conformational studies of ligand-template assemblies and the consequences for encapsulation of rhodium complexes and hydroformylation catalysis","Catalysis Science & Technology","2013","3","8","1955","","10.1039/c3cy20665c","","","0.71073","MoKα","","0.0746","0.0538","","","0.1105","0.1185","","","","","","1.179","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1558166","26.2516","0.0005","26.2516","0.0005","26.8975","0.0008","90","","90","","120","","16052.9","0.6","179.98","0.15","179.98","0.15","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C55 H49 Co N4 O3 -","- C55 H49 Co N4 O3 -","- C660 H588 Co12 N48 O36 -","12","1","","Wu, Zhenqiang; Peng, Chi-How; Fu, Xuefeng","Tacticity control approached by visible-light induced organocobalt-mediated radical polymerization: the synthesis of crystalline poly(N,N-dimethylacrylamide) with high isotacticity","Polymer Chemistry","2020","11","27","4387","4395","10.1039/D0PY00587H","","","0.71073","MoKα","","0.0872","0.052","","","0.1205","0.139","","","","","","1.025","","","","has coordinates","257933","2020-10-21","18:00:00",""
"1559896","27.827","0.0011","27.827","0.0011","21.2262","0.0007","90","","90","","120","","14234.3","0.9","100","","100","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","N2,N2',N2''-(2,4,6-trimethylbenzene-1,3,5-triyl) tris[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] unknown solvate","","- C27 H33 N33 -","- C27 H33 N33 -","- C162 H198 N198 -","6","0.5","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.1187","0.0927","","","0.2953","0.3123","","","","","","1.025","","","","has coordinates,has disorder","301780","2025-08-18","21:43:41",""
"1561015","18.836","0.0008","18.836","0.0008","25.942","0.002","90","","90","","120","","7971","0.8","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C39 F6 N18 O43 Si W12 -","- C39 F6 N18 O43 Si W12 -","- C156 F24 N72 O172 Si4 W48 -","4","0.333333","","Li, Xiao; Zhou, Kunfeng; Tong, Zhibo; Yang, Jianbo; Sheng, Ning; Li, Jisen; Sha, Jingquan","Keggin polyoxometalates based hybrid compounds containing helix/nanocages for colorimetric biosensing","Journal of Solid State Chemistry","2018","265","","372","380","10.1016/j.jssc.2018.06.020","","","0.71073","MoKα","","0.0585","0.0392","","","0.1081","0.1256","","","","","","1.122","","","","has coordinates","263036","2021-03-15","08:19:23",""
"1561570","9.8594","0.0003","9.8594","0.0003","13.0211","0.0008","90","","90","","120","","1096.17","0.08","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Mg1.43 Na3.13 U6 -","- F30 Mg1.4342 Na3.1298 U6 -","- F60 Mg2.8684 Na6.2596 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; zur Loye, Hans-Conrad","Mild hydrothermal crystal growth of new uranium(IV) fluorides, Na3.13Mg1.43U6F30 and Na2.50Mn1.75U6F30: Structures, optical and magnetic properties","Journal of Solid State Chemistry","2016","236","","83","88","10.1016/j.jssc.2015.04.036","","","0.71073","MoKα","","0.0281","0.0256","","","0.0535","0.0542","","","","","","1.19","","","","has coordinates","263979","2021-04-08","08:44:38",""
"1561571","9.8578","0.0003","9.8578","0.0003","13.192","0.0008","90","","90","","120","","1110.2","0.08","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Mn1.75 Na2.5 U6 -","- F30 Mn1.746 Na2.5042 U6 -","- F60 Mn3.492 Na5.0084 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; zur Loye, Hans-Conrad","Mild hydrothermal crystal growth of new uranium(IV) fluorides, Na3.13Mg1.43U6F30 and Na2.50Mn1.75U6F30: Structures, optical and magnetic properties","Journal of Solid State Chemistry","2016","236","","83","88","10.1016/j.jssc.2015.04.036","","","0.71073","MoKα","","0.0362","0.0307","","","0.0687","0.0703","","","","","","1.19","","","","has coordinates","263979","2021-04-08","08:44:39",""
"1562769","13.9915","0.0003","13.9915","0.0003","19.816","0.0007","90","","90","","120","","3359.5","0.16","173","2","173.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C36 H54 As6 Cl10 N6 O25 Zn8 -","- C36 H54 As6 Cl10 N6 O25 Zn8 -","- C72 H108 As12 Cl20 N12 O50 Zn16 -","2","0.166667","","Lesikar-Parrish, Leslie A.; Neilson, Robert H.; Richards, Anne F.","Metal arsonate polymers of Cd, Zn, Ag and Pb supported by 4-aminophenylarsonic acid","Journal of Solid State Chemistry","2013","198","","424","432","10.1016/j.jssc.2012.10.027","","","0.71073","MoKα","","0.042","0.038","","","0.103","0.1059","","","","","","1.068","","","","has coordinates","265407","2021-05-21","07:48:26",""
"1563077","10.7469","0.0007","10.7469","0.0007","9.5447","0.0007","90","","90","","120","","954.68","0.11","150","2","150","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C15 H27 O6 Tm -","- C15 H27 O6 Tm -","- C30 H54 O12 Tm2 -","2","0.166667","","Fomina, Irina; Dobrokhotova, Zhanna; Aleksandrov, Grygory; Emelina, Anna; Bykov, Mikhail; Malkerova, Irina; Bogomyakov, Artem; Puntus, Lada; Novotortsev, Vladimir; Eremenko, Igor","Novel 1D coordination polymer {Tm(Piv)3}n: Synthesis, structure, magnetic properties and thermal behavior","Journal of Solid State Chemistry","2012","185","","49","55","10.1016/j.jssc.2011.09.033","","","0.71073","MoKα","","0.0671","0.0552","","","0.1672","0.1778","","","","","","1","","","","has coordinates,has disorder","265667","2021-06-02","07:43:31",""
"1566936","14.9147","0.0015","14.9147","0.0015","26.629","0.003","90","","90","","120","","5130","0.9","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","[LGaCu]2B12Cl12","","","- C78 H120 B12 Cl12 Cu2 Ga2 N8 P6 -","- C52 H80 B8 Cl8 Cu1.33333 Ga1.33333 N5.33333 P4 -","- C156 H240 B24 Cl24 Cu4 Ga4 N16 P12 -","3","0.25","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.0545","0.0434","","","0.1277","0.1368","","","","","","1.013","","","","has coordinates","276601","2022-07-06","07:58:50",""
"1566937","14.9086","0.0007","14.9086","0.0007","26.6016","0.0014","90","","90","","120","","5120.5","0.4","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","[LAlCu]2B12Cl12","","","- C78 H120 Al2 B12 Cl12 Cu2 N8 P6 -","- C52 H80 Al1.33333 B8 Cl8 Cu1.33333 N5.33333 P4 -","- C156 H240 Al4 B24 Cl24 Cu4 N16 P12 -","3","0.25","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.0543","0.0412","","","0.1101","0.117","","","","","","1.091","","","","has coordinates","276601","2022-07-06","07:58:50",""
"1567558","14.068","0.0002","14.068","0.0002","23.3614","0.0004","90","","90","","120","","4004","0.11","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C60 H78 N8 O24 Zn7 -","- C60 H78 N8 O24 Zn7 -","- C120 H156 N16 O48 Zn14 -","2","0.166667","","Li, Tian; Wang, Yi-Fan; Yin, Zheng; Li, Jian; Peng, Xu; Zeng, Ming-Hua","The sequential structural transformation of a heptanuclear zinc cluster towards hierarchical porous carbon for supercapacitor applications","Chemical Science","2022","","","","","10.1039/D2SC03987G","","x-ray","1.54184","CuKα","","0.0585","0.0551","","","0.1705","0.175","","","","","","1.084","","","","has coordinates","277509","2022-08-31","22:14:29",""
"1567640","27.653","0.004","27.653","0.004","44.488","0.009","90","","90","","120","","29462","8","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C160 H204 N84 O72 Pd6 -","- C160 H204 N69 O27 Pd6 -","- C640 H816 N276 O108 Pd24 -","4","0.333333","","Chakraborty, Debsena; Saha, Rupak; Clegg, Jack Kay; Mukherjee, Partha Sarathi","Selective separation of planar and non-planar hydrocarbons using an aqueous Pd6 interlocked cage","Chemical Science","2022","","","","","10.1039/D2SC04660A","","","0.7108","synchrotron","","0.112","0.091","","","0.2931","0.3221","","","","","","1.066","","","","has coordinates","277844","2022-09-14","22:08:02",""
"1575876","13.0013","0.0004","13.0013","0.0004","9.349","0.0004","90","","90","","120","","1368.58","0.08","100","2","100","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C3 H1.5 N1.5 O4.5 -","- C3 H1.5 N1.5 O4.5 -","- C36 H18 N18 O54 -","12","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","","0.71073","MoKα","","0.0391","0.0369","","","0.0863","0.0879","","","","","","1.09","","","","has coordinates","303666","2025-11-29","18:42:46",""
"2002137","5.2141","0.0004","5.2141","0.0004","14.178","0.006","90","","90","","120","","333.8","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Manganese magnesium tantalum oxide (0.6/3.4/2/9)","","- Mg3.4 Mn0.6 O9 Ta2 -","- Mg3.4 Mn0.6 O9 Ta2 -","- Mg6.8 Mn1.2 O18 Ta4 -","2","0.166667","","Rohweder, U; Mueller-Buschbaum, Hk","Ueber ein Oxotantalat mit teilgeordneter Korundstruktur: Mn0.6 Mg3.4 Ta2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","573","","19","23","10.1002/zaac.19895730104","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002395","5.3293","0.0002","5.3293","0.0002","14.3154","0.0021","90","","90","","120","","352.1","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Tetramanganese tri-$-mue-oxo-hexaoxodiniobate","","- Mn4 Nb2 O9 -","- Mn4 Nb2 O9 -","- Mn8 Nb4 O18 -","2","0.166667","","Rohweder, U; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur von Mn4 Nb2 O9 und Mn2 Zn2 Nb2 O9","Journal of the Less-Common Metals","1988","138","","79","86","10.1016/0022-5088(88)90237-8","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002415","5.135","0.0002","5.135","0.0002","14.0858","0.0013","90","","90","","120","","321.7","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Zinc nickel tri-$-mue-oxo-hexaoxoditantalate (1.4/2.6/1)","","- Ni2.56 O9 Ta2 Zn1.44 -","- Ni2.56 O9 Ta2 Zn1.44 -","- Ni5.12 O18 Ta4 Zn2.88 -","2","0.166667","","Halle, G; Mueller-Buschbaum, Hk","Zur Kristallchemie der Oxotantalate M4 Ta2 O9. Part 2. Ueber Zn(4-x) Ni(x) Ta2 O9","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","563","","65","69","10.1002/zaac.19885630110","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002416","5.1621","0.0014","5.1621","0.0014","14.0668","0.0038","90","","90","","120","","324.6","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Zinc magnesium tri-$-mue-oxo-hexaoxoditantalate (0.8/3.2/1)","","- Mg3.2 O9 Ta2 Zn0.8 -","- Mg3.2 O9 Ta2 Zn0.8 -","- Mg6.4 O18 Ta4 Zn1.6 -","2","0.166667","","Halle, G; Mueller-Buschbaum, Hk","Beitraege zur Kristallchemie von Zn(4-x) Mg(x) Ta2 O9 und Zn2.1 Mg0.9 Ta2 O9","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","564","","31","36","10.1002/zaac.19885640105","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002422","5.1654","0.0011","5.1654","0.0011","14.0463","0.0036","90","","90","","120","","324.6","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Magnesium tri-$-mue-oxo-hexaoxoditantalate","","- Mg4 O9 Ta2 -","- Mg4 O9 Ta2 -","- Mg8 O18 Ta4 -","2","0.166667","","Halle, G; Mueller-Buschbaum, Hk","Zur Kristallchemie der Oxotantalate M4 Ta2 O9. Ueber Mg4 Ta2 O9 und Mg2 Ni2 Ta2 O9","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","562","","87","90","10.1002/zaac.19885620110","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002423","5.1362","0.0008","5.1362","0.0008","14.0577","0.0021","90","","90","","120","","321.2","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dimagnesium dinickel tri-$-mue-oxo-hexaoxoditantalate","","- Mg2 Ni2 O9 Ta2 -","- Mg2 Ni2 O9 Ta2 -","- Mg4 Ni4 O18 Ta4 -","2","0.166667","","Halle, G; Mueller-Buschbaum, Hk","Zur Kristallchemie der Oxotantalate M4 Ta2 O9. Ueber Mg4 Ta2 O9 und Mg2 Ni2 Ta2 O9","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","562","","87","90","10.1002/zaac.19885620110","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2008643","5.7445","0.0008","5.7445","0.0008","17.235","0.005","90","","90","","120","","492.55","0.17","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Bi nitro aluminate","Tetracalcium dialuminium hydroxide binitrate tetrahydrate","","- Al2 Ca4 H20 N2 O22 -","- Al2 Ca4 H12 N2.0004 O22.0016 -","- Al2 Ca4 H12 N2.0004 O22.0016 -","1","0.0833333","SK1257","Renaudin, Guillaume; François, Michel","The lamellar double-hydroxide (LDH) compound with composition 3CaO^.^Al~2~O~3~^.^Ca(NO~3~)~2~^.^10H~2~O","Acta Crystallographica Section C","1999","55","6","835","838","10.1107/S0108270199003066","","","0.71073","MoKα","","0.039","0.036","","","","0.1","","","","","","1.164","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2012645","11.413","0.003","11.413","0.004","13.566","0.003","90","","90","","120","","1530.3","0.8","180","2","180","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Tris-n-propylphosphine-dithiomonometaphosphoryl chloride","","- C9 H21 Cl P2 S2 -","- C9 H21 Cl0.99999 P2 S2.00001 -","- C36 H84 Cl3.99996 P8 S8.00004 -","4","0.333333","LN1136","Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian","Triorganophosphine‒dithiomonometaphosphoryl halides","Acta Crystallographica Section C","2002","58","4","o247","o250","10.1107/S0108270102004080","","","0.71073","MoKα","","0.022","0.022","","","0.053","0.054","","","","","","1.101","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012646","11.522","0.003","11.522","0.003","13.45","0.004","90","","90","","120","","1546.4","0.7","180","2","180","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Tris-n-propylphosphine-dithiomonometaphosphoryl bromide","","- C9 H21 Br P2 S2 -","- C9 H21 Br0.9999 P2 S2.0001 -","- C36 H84 Br3.9996 P8 S8.0004 -","4","0.333333","LN1136","Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian","Triorganophosphine‒dithiomonometaphosphoryl halides","Acta Crystallographica Section C","2002","58","4","o247","o250","10.1107/S0108270102004080","","","0.71073","MoKα","","0.06","0.033","","","0.057","0.061","","","","","","0.892","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013063","11.588","0.001","11.588","0.001","17.177","0.002","90","","90","","120","","1997.5","0.3","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","catena-Poly[tris(ethylenediamine-κ^2^N)nickel(II) [[trithiocyanato-κ^3^N-sodium(I)]-μ-aqua-κ^2^O:O]]","","- C9 H26 N9 Na Ni O S3 -","- C9 H26 N9 Na Ni O S3 -","- C36 H104 N36 Na4 Ni4 O4 S12 -","4","0.333333","FG1666","Shen, Liang; Jing, Zhi Min","<i>catena</i>-Poly[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) [[trithiocyanato-κ^3^<i>N</i>-sodium(I)]-μ-aqua-κ^2^<i>O</i>:<i>O</i>]]","Acta Crystallographica Section C","2002","58","12","m591","m592","10.1107/S0108270102019509","","","0.71073","MoKα","","0.055","0.038","","","0.123","0.13","","","","","","1.02","","","","has coordinates,has Fobs","301798","2025-08-19","06:42:13",""
"2014946","15.8791","0.0019","15.8791","0.0019","9.905","0.002","90","","90","","120","","2162.9","0.6","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Tris(ethylenediamine)zinc(II) molybdate(VI)","","- C6 H24 Mo N6 O4 Zn -","- C6 H24 Mo N6 O4 Zn -","- C36 H144 Mo6 N36 O24 Zn6 -","6","0.5","TA1492","Guo-Hua Han; Bi-Zhou Lin; Zhen Li","Tris(ethylenediamine)zinc(II) molybdate(VI), [Zn(en)~3~][MoO~4~]","Acta Crystallographica Section C","2005","61","6","m313","m314","10.1107/S010827010501317X","","","0.71069","MoKα","","0.0386","0.0323","","","0.0954","0.099","","","","","","1.033","","","","has coordinates","301798","2025-08-19","06:42:23",""
"2019132","11.3216","0.001","11.3216","0.0017","9.6946","0.0018","90","","90","","120","","1076.2","0.3","295","2","295","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","sodium tetragermanate","Disodium tetragermanate","","- Ge4 Na2 O9 -","- Ge4 Na2 O9 -","- Ge24 Na12 O54 -","6","0.5","FN3142","Redhammer, Günther J.; Tippelt, Gerold","The tetragermanates <i>A</i>~2~Ge~4~O~9~ (<i>A</i> = Na, K and Rb)","Acta Crystallographica Section C","2013","69","9","995","1001","10.1107/S0108270113020921","","","0.71073","MoKα","","0.0316","0.028","","","","0.0549","","","","","","1.209","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019133","11.8461","0.0004","11.8461","0.0004","9.8009","0.0004","90","","90","","120","","1191.1","0.07","295","2","295","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","potassium tetragermanate","Dipotassium tetragermanate","","- Ge4 K2 O9 -","- Ge4 K2 O9 -","- Ge24 K12 O54 -","6","0.5","FN3142","Redhammer, Günther J.; Tippelt, Gerold","The tetragermanates <i>A</i>~2~Ge~4~O~9~ (<i>A</i> = Na, K and Rb)","Acta Crystallographica Section C","2013","69","9","995","1001","10.1107/S0108270113020921","","","0.71073","MoKα","","0.0153","0.0143","","","","0.0345","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019134","12.1008","0.0006","12.1008","0.0006","9.8722","0.0005","90","","90","","120","","1251.91","0.11","295","2","295","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","rubidium tetragermanate","Dirubidium tetragermanate","","- Ge4 O9 Rb2 -","- Ge4 O9 Rb2 -","- Ge24 O54 Rb12 -","6","0.5","FN3142","Redhammer, Günther J.; Tippelt, Gerold","The tetragermanates <i>A</i>~2~Ge~4~O~9~ (<i>A</i> = Na, K and Rb)","Acta Crystallographica Section C","2013","69","9","995","1001","10.1107/S0108270113020921","","","0.71073","MoKα","","0.0189","0.0174","","","","0.0424","","","","","","1.196","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2104674","5.059105","0.000005","5.059105","","32.53711","0.00005","90","","90","","120","","721.202","0.0013","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Li0.94 Ni1.04 O7 Ti2.67 -","- Li0.942667 Ni1.04 O7 Ti2.67307 -","- Li5.656 Ni6.24 O42 Ti16.0384 -","6","0.5","DR5025","Gemmi, Mauro; Klein, Holger; Rageau, Amelie; Strobel, Pierre; Le Cras, Federic","Structure solution of the new titanate Li~4~Ti~8~Ni~3~O~21~ using precession electron diffraction","Acta Crystallographica Section B","2010","66","1","60","68","10.1107/S010876810904631X","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106219","8.7144","","8.7144","","21.3452","","90","","90","","120","","1403.8","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","","","- Li Te3 -","- Li Te3 -","- Li12 Te36 -","12","1","","Valentine, D.Y.; Cavin, O.B.; Yakel, H.L.jr.","On the crystal structure of Li Te3","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1389","1396","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106977","5.908","","5.908","","9.554","","90","","90","","120","","288.8","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Na.5 H2.5 P O3","","- H2.5 Na0.5 O3 P -","- H2.5 Na0.5 O3 P -","- H10 Na2 O12 P4 -","4","0.333333","","Hazell, R.G.; Hazell, A.C.; Kratochvil, B.","Structure of Sodium Hydrogenphosphite","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1267","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2200257","9.338","0.0002","9.338","0.0002","12.817","0.0003","90","","90","","120","","967.89","0.04","293","2","293","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C3 Na4 O11 U -","- C3 Na4 O11 U -","- C12 Na16 O44 U4 -","4","0.333333","","Císařová, Ivana; Skála, Roman; Ondruš, Petr; Drábek, Milan","Trigonal Na~4~[UO~2~(CO~3~)~3~]","Acta Crystallographica, Section E","2001","57","","i32","i34","10.1107/S1600536801005992","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2205087","7.298","0.001","7.298","0.001","16.56","0.003","90","","90","","120","","763.8","0.2","123","2","123","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","1,4,7-triazacyclononane hemihydrate","","- C6 H16 N3 O0.5 -","- C6 H16 N3 O0.5 -","- C24 H64 N12 O2 -","4","0.333333","IS6022","Battle, Andrew R.; Johnson, Daniel L.; Martin, Lisandra L.","1,4,7-Triazacyclononane hemihydrate","Acta Crystallographica Section E","2005","61","2","o330","o332","10.1107/S1600536805000814","","","0.71073","MoKα","","","0.0485","","","","0.1398","","","","","","1.118","","","","has coordinates,has Fobs","301803","2025-08-19","11:20:49",""
"2205242","9.4496","0.0004","9.4496","0.0004","15.3237","0.0004","90","","90","","120","","1185.01","0.08","110","2","110","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Tris(biacetyl dihydrazone-κ^2^N,N')zinc(II) bis(perchlorate)","","- C12 H30 Cl2 N12 O8 Zn -","- C12 H30 Cl2 N12 O8 Zn -","- C24 H60 Cl4 N24 O16 Zn2 -","2","0.166667","CI6528","Helena Elengoz; Rinat Shoshnik; Israel Goldberg","Tris(biacetyl dihydrazone-κ^2^<i>N,N</i>')zinc(II) bis(perchlorate) at 110K","Acta Crystallographica Section E","2005","61","3","m538","m540","10.1107/S1600536805004757","","","0.71073","MoKα","","0.0512","0.0354","","","0.0814","0.0897","","","","","","0.982","","","","has coordinates,has Fobs","301803","2025-08-19","11:20:50",""
"2205243","9.5905","0.0007","9.5905","0.0007","15.2874","0.0008","90","","90","","120","","1217.72","0.14","110","2","110","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Tris(biacetyl dihydrazone-κ^2^N,N')cadmium(II) bis(perchlorate) at 110 K","","?","- C12 H30 Cd Cl2 N12 O8 -","- C24 H60 Cd2 Cl4 N24 O16 -","2","0.166667","CI6529","Einat Tirosh; Rozi Maman; Israel Goldberg","Tris(biacetyl dihydrazone-κ^2^<i>N</i>,<i>N</i>')cadmium(II) bis(perchlorate) at 110K","Acta Crystallographica Section E","2005","61","3","m541","m542","10.1107/S1600536805004769","","","0.71073","MoKα","","0.0459","0.0324","","","0.0839","0.0904","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208391","16.0024","0.0016","16.0024","","9.9608","0.0019","90","","90","","120","","2209","0.5","291","2","291","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Tris(ethylenediamine)nickel(II) tetraoxomolybdate(VI)","","- C6 H24 Mo N6 Ni O4 -","- C6 H24 Mo N6 Ni O4 -","- C36 H144 Mo6 N36 Ni6 O24 -","6","0.5","NG2003","Bi-Zhou Lin; Guo-Hua Han; Feng Geng; Cong Ding","Tris(ethylenediamine)nickel(II) tetraoxomolybdate(VI)","Acta Crystallographica Section E","2006","62","3","m532","m534","10.1107/S1600536806004971","","","0.71073","MoKα","","0.0429","0.0401","","","0.1498","0.1527","","","","","","1.019","","","","has coordinates","301803","2025-08-19","11:20:56",""
"2208797","9.72879","0.00013","9.72879","","13.5827","0.0003","90","","90","","120","","1113.36","0.03","295","2","295","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Nonalithium trigallium(III) tris[pyrophosphate(V)] diphosphate(V)","","- Ga3 Li9 O29 P8 -","- Ga3 Li9 O29 P8 -","- Ga6 Li18 O58 P16 -","2","0.166667","BR2004","Liu, Xiao-Xuan; Wang, Cheng-Xin; Luo, Shu-Ming; Mi, Jin-Xiao","The layered monodiphosphate Li~9~Ga~3~(P~2~O~7~)~3~(PO~4~)~2~ refined from X-ray powder data","Acta Crystallographica Section E","2006","62","5","i112","i113","10.1107/S1600536806012426","","","1.54056","CuKα~1~","","","","","","","","","","1.24","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208889","5.1736","0.0003","5.1736","0.0003","14.1457","0.0011","90","","90","","120","","327.9","0.04","297","1","297","1","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","tetracobalt diniobium nonaoxide","","- Co4 Nb2 O9 -","- Co4 Nb2 O9 -","- Co8 Nb4 O18 -","2","0.166667","HB2026","Castellanos R., María A.; Bernès, Sylvain; Vega-González, Marina","Redetermination of Co~4~Nb~2~O~9~ by single-crystal X-ray methods","Acta Crystallographica Section E","2006","62","5","i117","i119","10.1107/S1600536806012141","","","0.71073","MoKα","","0.0374","0.0309","","","0.0762","0.0794","","","","","","1.284","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2234194","6.434","0.0006","6.434","0.0006","25.474","0.002","90","","90","","120","","913.25","0.14","173","2","173","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Bis(adamantan-1-aminium) carbonate","","- C21 H36 N2 O3 -","- C21 H36 N2 O3 -","- C42 H72 N4 O6 -","2","0.166667","GK2467","Nowakowska, Monika; Gamble, Caryn; Levendis, Demetrius C.","Bis(adamantan-1-aminium) carbonate","Acta Crystallographica Section E","2012","68","4","o1159","","10.1107/S1600536812011828","","","0.71069","MoKα","","0.0543","0.042","","","0.1013","0.1072","","","","","","1.077","","","","has coordinates,has Fobs","301806","2025-08-19","15:27:15",""
"2240052","10.3862","0.0015","10.3862","0.0015","9.2089","0.0014","90","","90","","120","","860.3","0.2","100","1","100","1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Diammonium hexaphosphitopentaferrate(II)","","- Fe5 H14 N2 O18 P6 -","- Fe5 H6 N2.0004 O18 P6 -","- Fe10 H12 N4.0008 O36 P12 -","2","0.166667","","Berrocal, Teresa; Mesa, Jose Luis; Larrea, Edurne; Arrieta, Juan Manuel","Crystal structure of (NH~4~)~2~[Fe^II^~5~(HPO~3~)~6~], a new open-framework phosphite","Acta Crystallographica Section E","2014","70","11","309","311","10.1107/S1600536814021783","","","0.71073","MoKα","","0.0364","0.0332","","","0.0632","0.0651","","","","","","1.168","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2241434","10.1567","0.0005","10.1567","0.0005","9.2774","0.0006","90","","90","","120","","828.82","0.08","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Potassium hexaphosphitopentaferrate(II,III) hemihydrate","","- Fe5 H7 K0.75 O18.5 P6 -","- Fe5 H6 K0.75 O18.5 P6 -","- Fe10 H12 K1.5 O37 P12 -","2","0.166667","","Larrea, Edurne S.; Mesa, José Luis; Legarra, Estibaliz; Aguayo, Andrés Tomás; Arriortua, Maria Isabel","Crystal structure of K~0.75~[Fe^II^~3.75~Fe^III^~1.25~(HPO~3~)~6~]·0.5H~2~O, an open-framework iron phosphite with mixed-valent Fe^II^/Fe^III^ ions","Acta Crystallographica Section E","2016","72","1","63","65","10.1107/S2056989015024007","","","0.71073","MoKα","","0.0271","0.0256","","","","0.0607","","","","","","1.187","","","","has coordinates,has disorder,has Fobs","176648","2020-10-21","18:00:00",""
"2243918","11.429","0.0002","11.429","0.0002","15.5815","0.0002","90","","90","","120","","1762.61","0.05","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","(Δ/Λ)-Tris(ethylenediamine)cobalt(III) trichloride hemi(hexaaquasodium chloride)","","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","- C24 H120 Cl14 Co4 N24 Na2 O12 -","2","0.166667","HB7980","Conrad-Marut, Linden H.; Reinheimer, Eric W.; Johnson, Adam R.","Synthesis and structure determination of racemic (Δ/Λ)-tris(ethylenediamine)cobalt(III) trichloride hemi(hexaaquasodium chloride)","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009336","","x-ray","0.71073","MoKα","","0.0311","0.0266","","","0.0704","0.0724","","","","","","1.06","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2312125","11.3193","0.0009","11.3193","0.0009","15.4254","0.0016","90","","90","","120","","1711.6","0.3","120","2","120","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] trichloride tetrahydrate","","- C6 H32 Cl3 Co N6 O4 -","- C6 H32 Cl3 Co N6 O4 -","- C24 H128 Cl12 Co4 N24 O16 -","4","0.333333","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0371","0.0346","","","0.0982","0.1005","","","","","","1.139","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:20",""
"2312126","11.354","0.007","11.354","0.007","15.683","0.013","90","","90","","120","","1751","2","120","2","120","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexaaquasodium(I) heptachloride","","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","- C24 H120 Cl14 Co4 N24 Na2 O12 -","2","0.166667","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0249","0.0215","","","0.0456","0.0469","","","","","","1.131","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312127","11.4444","0.0003","11.4444","0.0003","15.649","0.0006","90","","90","","120","","1775.02","0.09","120","2","120","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexaaquapotassium(I) heptachloride","","- C12 H60 Cl7 Co2 K N12 O6 -","- C12 H60 Cl7 Co2 K N12 O6 -","- C24 H120 Cl14 Co4 K2 N24 O12 -","2","0.166667","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.025","0.0245","","","0.0646","0.0649","","","","","","1.193","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312128","11.4131","0.0014","11.4131","0.0014","15.578","0.003","90","","90","","120","","1757.3","0.5","120","2","120","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Ammonium bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] heptachloride hexahydrate","","- C12 H64 Cl7 Co2 N13 O6 -","- C12 H64 Cl7 Co2 N13 O6 -","- C24 H128 Cl14 Co4 N26 O12 -","2","0.166667","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0445","0.033","","","0.0644","0.0685","","","","","","1.039","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"4000889","14.0445","0.0008","14.0445","0.0008","23.235","0.003","90","","90","","120","","3969","0.6","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15.43 H25.71 Cl0.57 Co2 N1.71 O10.86 -","- C15.4286 H25.7143 Cl0.571429 Co2 N1.71429 O10.8571 -","- C108 H180 Cl4 Co14 N12 O76 -","7","0.583333","","Zhou, Yan-Ling; Zeng, Ming-Hua; Wei, Lian-Qiang; Li, Bin-Wen; Kurmoo, Mohamedally","Traditional and Microwave-Assisted Solvothermal Synthesis and Surface Modification of Co7Brucite Disk Clusters and Their Magnetic Properties","Chemistry of Materials","2010","22","14","4295","","10.1021/cm1011229","","","0.71073","MoKα","","0.068","0.0538","","","0.1479","0.1603","","","","","","1.062","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000890","14.2295","0.0001","14.2295","0.0001","23.5443","0.0003","90","","90","","120","","4128.53","0.07","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C60 H78 Cl2 Co7 N6 O26 -","- C60 H78 Cl2 Co7 N6 O26 -","- C120 H156 Cl4 Co14 N12 O52 -","2","0.166667","","Zhou, Yan-Ling; Zeng, Ming-Hua; Wei, Lian-Qiang; Li, Bin-Wen; Kurmoo, Mohamedally","Traditional and Microwave-Assisted Solvothermal Synthesis and Surface Modification of Co7Brucite Disk Clusters and Their Magnetic Properties","Chemistry of Materials","2010","22","14","4295","","10.1021/cm1011229","","","0.71073","MoKα","","0.0845","0.0709","","","0.1869","0.2074","","","","","","1.042","","","","has coordinates","301811","2025-08-19","19:33:34",""
"4000891","14.1074","0.0008","14.1074","0.0008","23.882","0.003","90","","90","","120","","4116.2","0.6","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C54 H60 Cl2 Co7 N24 O20 -","- C54 H60 Cl2 Co7 N24 O20 -","- C108 H120 Cl4 Co14 N48 O40 -","2","0.166667","","Zhou, Yan-Ling; Zeng, Ming-Hua; Wei, Lian-Qiang; Li, Bin-Wen; Kurmoo, Mohamedally","Traditional and Microwave-Assisted Solvothermal Synthesis and Surface Modification of Co7Brucite Disk Clusters and Their Magnetic Properties","Chemistry of Materials","2010","22","14","4295","","10.1021/cm1011229","","","0.71073","MoKα","","0.0911","0.0771","","","0.2361","0.2556","","","","","","1.109","","","","has coordinates","301811","2025-08-19","19:33:34",""
"4001679","22.13","0.003","22.13","0.003","13.31","0.003","90","","90","","120","","5645.1","1.7","293","2","293","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C144 H48 Co18 O160 -","- C144 H48 Co18 O160.2 -","- C144 H48 Co18 O160.2 -","1","0.0833333","","Hmadeh, Mohamad; Lu, Zheng; Liu, Zheng; Gándara, Felipe; Furukawa, Hiroyasu; Wan, Shun; Augustyn, Veronica; Chang, Rui; Liao, Lei; Zhou, Fei; Perre, Emilie; Ozolins, Vidvuds; Suenaga, Kazu; Duan, Xiangfeng; Dunn, Bruce; Yamamto, Yasuaki; Terasaki, Osamu; Yaghi, Omar M.","New Porous Crystals of Extended Metal-Catecholates","Chemistry of Materials","2012","24","18","3511","","10.1021/cm301194a","","","0.92017","Synchrotronradiation","","0.0844","0.0734","","","0.2048","0.2136","","","","","","1.118","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4003116","28.36","0.001","28.36","0.001","40.788","0.002","90","","90","","120","","28410","2","100","0.1","100","0.1","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C198 H153 Ag28 O3 P7 Pt S24 -","- C198 H153 Ag28 O3 P7 Pt S24 -","- C792 H612 Ag112 O12 P28 Pt4 S96 -","4","0.333333","","Bootharaju, Megalamane S.; Kozlov, Sergey M.; Cao, Zhen; Shkurenko, Aleksander; El-Zohry, Ahmed M.; Mohammed, Omar F.; Eddaoudi, Mohamed; Bakr, Osman M.; Cavallo, Luigi; Basset, Jean-Marie","Tailoring the Crystal Structure of Nanoclusters Unveiled High Photoluminescence via Ion Pairing","Chemistry of Materials","2018","30","8","2719","","10.1021/acs.chemmater.8b00328","","","1.54178","CuKα","","0.1227","0.0687","","","0.1834","0.2124","","","","","","1.043","","","","has coordinates,has disorder","226221","2020-10-21","18:00:00",""
"4029288","21.571","0.003","21.571","0.003","27.87","0.006","90","","90","","120","","11231","3","173","2","173","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C141 H57 N15 -","- C141 H57 N15 -","- C564 H228 N60 -","4","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1433","0.1162","","","0.2891","0.3017","","","","","","1.675","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4030520","5.5748","0.0001","5.5748","0.0001","21.9936","0.0003","90","","90","","120","","591.951","0.017","","","293","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- La5 O15 Ti4 -","- La5 O15 Ti4 -","- La10 O30 Ti8 -","2","0.166667","","Bontchev, R.; Darriet, B.; Darriet, J.; Weill, F.; Van Tendeloo, G.; Amelinckx, S.","New cation deficient perovskite-like oxides in the system La4Ti3O12-LaTiO3","European Journal of Solid State and Inorganic Chemistry","1993","30","","521","537","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.057","","","","","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4031552","9.7114","","9.7114","","20.3649","","90","","90","","120","","1663.32","","","","","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","(Sr0.75 Ba0.25)5 (Ni Mn3 O12)","","- Ba1.25 Mn3 Ni O12 Sr3.75 -","- Ba1.25 Mn3 Ni O12 Sr3.75 -","- Ba7.5 Mn18 Ni6 O72 Sr22.5 -","6","0.5","","Hernando, M.; Boulahya, K.; Parras, M.; Gonzalez-Calbet, J.M.; Amador, U.","Synthesis and microstructural characterisation of two new one-dimensional members of the (A3 Ni Mn O6)a (A3 Mn3 O9)b homologous series (A= Ba, Sr)","European Journal of Inorganic Chemistry","2003","2003","","2419","2425","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4063488","17.7778","0.0008","17.7778","","12.1417","0.0005","90","","90","","120","","3323.3","0.2","100","2","100","2","","","","","","","synthesis as described","5","P -3 c 1","-P 3 2""c","165","","","","- C15 H3 Al F18 O6 -","- C15 H3 Al F18 O6 -","- C90 H18 Al6 F108 O36 -","6","0.5","","Bouyahyi, Miloud; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Fluorinated β-Diketonate Ligands: Syntheses, Structures, Intramolecular Reduction, and Use in Ring-Opening Polymerization of Lactide","Organometallics","2010","29","2","491","500","10.1021/om9009312","","x-ray","0.71073","MoKα","","0.0733","0.0698","","","0.196","0.1997","","","","","","1.1","","","","has coordinates,has disorder","178529","2020-10-21","18:00:00",""
"4063908","14.825","0.001","14.825","0.001","41.08","0.003","90","","90","","120","","7819","0.9","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C63 H60 B3 F12 N6 O9 P3 Ru3 -","- C63 H60 B3 F12.015 N6 O9 P3 Ru3 -","- C252 H240 B12 F48.06 N24 O36 P12 Ru12 -","4","0.333333","","Cabeza, Javier A.; Damonte, Marina; García-Álvarez, Pablo; Kennedy, Alan R.; Pérez-Carreño, Enrique","Reactivity of [Ru3(CO)12] with a Phosphine-Functionalized Imidazol-2-ylidene and Its Imidazolium Salt","Organometallics","2011","30","4","826","","10.1021/om101021s","","","1.54184","CuKα","","0.1186","0.0962","","","0.2796","0.2964","","","","","","1.044","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4067672","15.6749","0.0001","15.6749","0.0001","23.0971","0.0003","90","","90","","120","","4914.71","0.08","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C39 H30 O3 P2 Ru -","- C39 H30 O3 P2 Ru -","- C234 H180 O18 P12 Ru6 -","6","0.5","","Hill, Anthony F.; Neumann, Horst; Wagler, Jörg","Bis(methimazolyl)silyl Complexes of Ruthenium","Organometallics","2010","29","4","1026","","10.1021/om901067t","","","0.71073","MoKα","","0.0574","0.0328","","","0.0845","0.0913","","","","","","1.075","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4070676","24.747","0.004","24.747","0.004","7.4616","0.0015","90","","90","","120","","3957.4","1.2","100","2","100","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C12 H12 Co -","- C12 H12 Co -","- C216 H216 Co18 -","18","1.5","","Mayer, Ulrich F. J.; Charmant, Jonathan P. H.; Rae, James; Manners, Ian","Synthesis and Structures of Strained, Neutral [d7] and Cationic [d6] Hydrocarbon-Bridged [n]Cobaltocenophanes (n= 2, 3)","Organometallics","2008","27","7","1524","","10.1021/om700941v","","","0.71073","MoKα","","0.0819","0.0677","","","0.2163","0.2278","","","","","","1.136","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4075966","43.616","0.003","43.616","0.003","24.703","0.003","90","","90","","120","","40698","6","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C122.75 H173.5 Mo N4 -","- C122.75 H173.5 Mo N4 -","- C1473 H2082 Mo12 N48 -","12","1","","Byrnes, Matthew J.; Dai, Xuliang; Schrock, Richard R.; Hock, Adam S.; Müller, Peter","Some Organometallic Chemistry of Molybdenum Complexes that Contain the [HIPTN3N]3-Triamidoamine Ligand, {[3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2]3N}3-","Organometallics","2005","24","18","4437","","10.1021/om050373e","","","0.71073","MoKα","","0.1382","0.1178","","","0.3227","0.33","","","","","","2.411","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4087104","18.1967","0.0005","18.1967","0.0005","45.5371","0.0016","90","","90","","120","","13058.1","0.7","120","2","120","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Pd3(eta2-Dipp-u-CNArDipp2)3","","","- C145 H215 N3 O13 Pd3 -","- C93 H111 N3 Pd3 -","- C372 H444 N12 Pd12 -","4","0.333333","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","x-ray","1.54184","CuKα","","0.0636","0.0574","","","0.137","0.1413","","","","","","1.219","","","","has coordinates","193331","2020-10-21","18:00:00",""
"4104329","18.6069","0.0006","18.6069","0.0006","22.6226","0.0014","90","","90","","120","","6783","0.5","213","2","213","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","MAMS-2","","","- C18 H18 O5 Zn -","- C18 H16 O5 Zn -","- C216 H192 O60 Zn12 -","12","1","","Shengqian Ma; Daofeng Sun; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou","Preparation and Gas Adsorption Studies of Three Mesh-Adjustable Molecular Sieves with a Common Structure","Journal of the American Chemical Society","2009","131","","6445","6451","10.1021/ja808896f","","","0.71073","MoKα","","0.09","0.0746","","","0.2043","0.2136","","","","","","1.06","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104330","18.9328","0.0012","18.9328","0.0012","22.307","0.003","90","","90","","120","","6924.7","1.1","213","2","213","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","MAMS-3","","","- C18 H18 Co O5 -","- C18 H16 Co O5 -","- C216 H192 Co12 O60 -","12","1","","Shengqian Ma; Daofeng Sun; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou","Preparation and Gas Adsorption Studies of Three Mesh-Adjustable Molecular Sieves with a Common Structure","Journal of the American Chemical Society","2009","131","","6445","6451","10.1021/ja808896f","","","0.71073","MoKα","","0.0832","0.0665","","","0.203","0.2098","","","","","","1.064","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104331","18.4472","0.0004","18.4472","0.0004","22.576","0.0012","90","","90","","120","","6653.3","0.4","213","2","213","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","MAMS-4","","","- C18 H18 Cu O5 -","- C18 H16 Cu O5 -","- C216 H192 Cu12 O60 -","12","1","","Shengqian Ma; Daofeng Sun; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou","Preparation and Gas Adsorption Studies of Three Mesh-Adjustable Molecular Sieves with a Common Structure","Journal of the American Chemical Society","2009","131","","6445","6451","10.1021/ja808896f","","","0.71073","MoKα","","0.0936","0.0731","","","0.2152","0.2268","","","","","","1.093","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4105867","7.79779","0.00006","7.79779","","15.96933","0.00017","90","","90","","120","","840.931","0.011","298","","298","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- Al B5 H38 Li2 N6 -","- Al B5 H38 Li2 N6 -","- Al2 B10 H76 Li4 N12 -","2","0.166667","","Yanhui Guo; Hui Wu; Wei Zhou; Xuebin Yu","Dehydrogenation Tuning of Ammine Borohydrides Using Double-Metal Cations","Journal of the American Chemical Society","2011","133","","4690","4693","10.1021/ja1105893","powder diffraction","x-ray","1.2372","synchrotron","","","","","","","","0.0601","","1.795","","","","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105983","13.4946","0.0018","13.4946","0.0018","14.912","0.002","90","","90","","120","","2351.7","0.5","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 La2 N6 O33 -","- C24 H30 Cu3 La2 N6 O33 -","- C48 H60 Cu6 La4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0404","","","","0.1331","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105984","13.4567","0.0016","13.4567","0.0016","14.6982","0.0019","90","","90","","120","","2305","0.5","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 N6 Nd2 O33 -","- C24 H30 Cu3 N6 Nd2 O33 -","- C48 H60 Cu6 N12 Nd4 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0375","","","","0.1122","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105985","13.4105","0.0013","13.4105","0.0013","14.5808","0.0015","90","","90","","120","","2270.9","0.4","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 N6 O33 Sm2 -","- C24 H30 Cu3 N6 O33 Sm2 -","- C48 H60 Cu6 N12 O66 Sm4 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0356","","","","0.1152","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105986","13.4147","0.001","13.4147","0.001","14.4622","0.0012","90","","90","","120","","2253.9","0.3","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 Gd2 N6 O33 -","- C24 H30 Cu3 Gd2 N6 O33 -","- C48 H60 Cu6 Gd4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0371","","","","0.0826","","","","","","1.208","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105987","13.388","0.002","13.388","0.002","14.306","0.002","90","","90","","120","","2220.7","0.6","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 Ho2 N6 O33 -","- C24 H30 Cu3 Ho2 N6 O33 -","- C48 H60 Cu6 Ho4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0383","","","","0.0956","","","","","","1.189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105988","13.3473","0.0008","13.3473","0.0008","14.2599","0.0008","90","","90","","120","","2200.1","0.2","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 Er2 N6 O33 -","- C24 H30 Cu3 Er2 N6 O33 -","- C48 H60 Cu6 Er4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0241","","","","0.0723","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105989","13.374","0.0006","13.374","0.0006","14.9482","0.0008","90","","90","","120","","2315.49","0.19","113.1","","113","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H30 Cu3 La2 N6 O24 -","- C24 H30 Cu3 La2 N6 O24 -","- C48 H60 Cu6 La4 N12 O48 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0294","","","","0.0826","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111472","15.037","0.002","15.037","0.002","17.395","0.003","90","","90","","120","","3406.3","0.9","173","2","173","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","Complex 3","","","- C15.5 H33 Cl F6 Fe N4 P S -","- C15.5 H33 Cl F6 Fe N4 P S -","- C93 H198 Cl6 F36 Fe6 N24 P6 S6 -","6","0.5","","Adam T. Fiedler; Heather L. Halfen; Jason A. Halfen; Thomas C. Brunold","Synthesis, Structure Determination, and Spectroscopic/Computational Characterization of a Series of Fe(II)-Thiolate Model Complexes: Implications for Fe-S Bonding in Superoxide Reductases","Journal of the American Chemical Society","2005","127","","1675","1689","10.1021/ja046939s","","","0.71073","MoKα","","0.1149","0.071","","","0.1752","0.2041","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111951","8.7914","0.0004","8.7914","0.0004","25.7475","0.0019","90","","90","","120","","1723.38","0.17","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C12 H54 N8 O22 P4 Zn3 -","- C12 H54 N8 O22 P4 Zn3 -","- C24 H108 N16 O44 P8 Zn6 -","2","0.166667","","Yueh-Chun Liao; Yao-Chen Jiang; Sue-Lein Wang","Discrete Water Hexamers and Template-Assisted Molecular Recognition in an Elastic Zincophosphate Lattice","Journal of the American Chemical Society","2005","127","","12794","12795","10.1021/ja054357k","","","0.71073","MoKα","","0.0481","0.0438","","","0.1032","0.1048","","","","","","1.208","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4114268","16.4781","0.0007","16.4781","0.0007","15.9151","0.0008","90","","90","","120","","3742.4","0.3","93.1","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C45 H30 Ir N3 -","- C45 H30 Ir N3 -","- C180 H120 Ir4 N12 -","4","0.333333","","Akira Tsuboyama; Hironobu Iwawaki; Manabu Furugori; Taihei Mukaide; Jun Kamatani; Satoshi Igawa; Takashi Moriyama; Seishi Miura; Takao Takiguchi; Shinjiro Okada; Mikio Hoshino; Kazunori Ueno","Homoleptic Cyclometalated Iridium Complexes with Highly Efficient Red Phosphorescence and Application to Organic Light-Emitting Diode","Journal of the American Chemical Society","2003","125","","12971","12979","10.1021/ja034732d","","","0.7107","MoKα","","","0.031","","","","0.124","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115145","16.1616","0.0002","16.1616","0.0002","22.3496","0.0004","90","","90","","120","","5055.56","0.13","120","2","120","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C6 H18 Cl3 N3 -","- C6 H14 Cl3 N3 -","- C108 H252 Cl54 N54 -","18","1.5","","Colin A. Bremner; Michael Simpson; William T. A. Harrison","New Molecular Perovskites: Cubic C4N2H12.NH4Cl3.H2O and 2-H Hexagonal C6N2H14.NH4Cl3","Journal of the American Chemical Society","2002","124","","10960","10961","10.1021/ja027484e","","","0.71073","MoKα","","0.1348","0.0676","","","0.2188","0.2603","","","","","","1.167","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115589","27.694","0.005","27.694","0.005","13.188","0.003","90","","90","","120","","8760","3","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C25 H40.33 Co N3 O5.17 S -","- C25 H38 Co N3 O5.16667 S -","- C300 H456 Co12 N36 O62 S12 -","12","1","","Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues","Journal of the American Chemical Society","2001","123","","6025","6039","10.1021/ja004305p","","","0.71073","MoKα","","0.1601","0.0726","","0.2404","0.1652","","","","0.991","1.2","1.2","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115742","8.303","0.0003","8.303","0.0003","20.334","0.001","90","","90","","120","","1214.01","0.09","150","2","150","2","","","","","","","'hydrothermal synthesis at 200 deg C for 30 hours'","6","P -3 c 1","-P 3 2""c","165","csdab","","","- C3 H14 Co4 N O11 S -","- C4 H16 Co5.33333 N1.33333 O14.6667 S1.33333 -","- C12 H48 Co16 N4 O44 S4 -","3","0.25","","Apinpus Rujiwatra; Cameron J. Kepert; John B. Claridge; Matthew J. Rosseinsky; Hitoshi Kumagai; Mohamedally Kurmoo","Layered Cobalt Hydroxysulfates with Both Rigid and Flexible Organic Pillars: Synthesis, Structure, Porosity, and Cooperative Magnetism","Journal of the American Chemical Society","2001","123","","10584","10594","10.1021/ja0109848","","","0.689","synchrotron","","0.0817","0.0576","","","0.1388","0.1458","","","","","","1.074","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4117336","8.117","0.015","8.117","0.015","7.531","0.014","90","","90","","120","","429.7","1.4","150","2","150","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","nickel(II) hydrazine nitrate","","","- H12 N8 Ni O6 -","- H12 N8 Ni O6 -","- H24 N16 Ni2 O12 -","2","0.166667","","Oleksandr S. Bushuyev; Preston Brown; Amitesh Maiti; Richard H. Gee; Geneva R. Peterson; Brandon L. Weeks; Louisa J. Hope-Weeks","Ionic Polymers as a New Structural Motif for High-Energy-Density Materials","Journal of the American Chemical Society","2012","134","","1422","1425","10.1021/ja209640k","","","0.71073","MoKα","","0.0549","0.047","","","0.1185","0.1253","","","","","","1.089","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4120359","18.045","0.002","18.045","0.002","12.6335","0.0014","90","","90","","120","","3562.6","0.7","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H3 F18 Mn Na O6 -","- C15 H3 F18 Mn Na O6 -","- C90 H18 F108 Mn6 Na6 O36 -","6","0.5","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","0.71073","Mo-Kα","","0.0788","0.0516","","","0.1066","0.1187","","","","","","1.014","","","","has coordinates","301834","2025-08-20","16:40:42",""
"4120360","18.0016","0.0004","18.0016","0.0004","12.3451","0.0003","90","","90","","120","","3464.55","0.14","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H3 F18 Fe Na O6 -","- C15 H3 F18 Fe Na O6 -","- C90 H18 F108 Fe6 Na6 O36 -","6","0.5","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","1.54178","CuKα","","0.0741","0.0501","","","0.0771","0.0852","","","","","","1.099","","","","has coordinates","301834","2025-08-20","16:40:42",""
"4120361","17.958","0.005","17.958","0.005","12.531","0.003","90","","90","","120","","3499.7","1.6","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H3 Co F18 Na O6 -","- C15 H3 Co F18 Na O6 -","- C90 H18 Co6 F108 Na6 O36 -","6","0.5","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","0.71073","Mo-Kα","","0.1008","0.0565","","","0.1292","0.1537","","","","","","1.032","","","","has coordinates","301834","2025-08-20","16:40:42",""
"4120362","17.884","0.004","17.884","0.004","12.391","0.003","90","","90","","120","","3432.2","1.4","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H3 F18 Na Ni O6 -","- C15 H3 F18 Na Ni O6 -","- C90 H18 F108 Na6 Ni6 O36 -","6","0.5","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","0.71073","Mo-Kα","","0.1335","0.106","","","0.222","0.2334","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121445","9.9172","0.0008","9.9172","0.0008","13.033","0.002","90","","90","","120","","1110.1","0.2","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Mn Na4 U6 -","- F30 Mn Na4.00002 U6 -","- F60 Mn2 Na8.00004 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0512","0.0449","","","0.1089","0.1119","","","","","","1.187","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121446","9.8882","0.0003","9.8882","0.0003","13.0152","0.0009","90","","90","","120","","1102.09","0.09","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Co F30 Na4 U6 -","- Co F30 Na4.00002 U6 -","- Co2 F60 Na8.00004 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0342","0.0304","","","0.0676","0.0689","","","","","","1.148","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121447","9.8623","0.0006","9.8623","0.0006","13.0147","0.0016","90","","90","","120","","1096.28","0.16","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Na4 Ni U6 -","- F30 Na4.00002 Ni U6 -","- F60 Na8.00004 Ni2 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0407","0.0367","","","0.088","0.0898","","","","","","1.161","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121448","9.8826","0.0003","9.8826","0.0003","13.0106","0.0008","90","","90","","120","","1100.45","0.08","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Cu F30 Na4 U6 -","- Cu F30 Na4.02 U6 -","- Cu2 F60 Na8.04 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0327","0.0299","","","0.0702","0.0713","","","","","","1.225","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121449","9.8783","0.0007","9.8783","0.0007","13.0455","0.0018","90","","90","","120","","1102.44","0.19","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Na4 U6 Zn -","- F30 Na4.0002 U6 Zn -","- F60 Na8.0004 U12 Zn2 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0469","0.0361","","","0.0719","0.0757","","","","","","1.079","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4123216","22.0027","0.0012","22.0027","0.0012","24.3085","0.0013","90","","90","","120","","10191.6","1","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C64 H84 N2 Pt Sn2 -","- C64 H84 N2 Pt Sn2 -","- C384 H504 N12 Pt6 Sn12 -","6","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0815","0.0431","","","0.1245","0.1666","","","","","","1.165","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123757","14.58438","0.000014","14.58438","0.000014","12.22262","0.000017","90","","90","","120","","2251.49","0.004","150","3","150","3","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Al9 B18 Cl2 O65.24 -","- Al9 B18 Cl2 O65.2452 -","- Al18 B36 Cl4 O130.49 -","2","0.166667","","Chen, Hong; Ju, Jing; Meng, Qingpeng; Su, Jie; Lin, Cong; Zhou, Zhengyang; Li, Guobao; Wang, Weilu; Gao, Wenliang; Zeng, Chunmei; Tang, Chiu; Lin, Jianhua; Yang, Tao; Sun, Junliang","PKU-3: An HCl-Inclusive Aluminoborate for Strecker Reaction Solved by Combining RED and PXRD.","Journal of the American Chemical Society","2015","137","22","7047","7050","10.1021/jacs.5b03685","","","0.82613","synchrotron","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4123971","9.6517","","9.6517","","4.3493","","90","","90","","120","","350.879","","","","","","","","","","","","","1","P -3 c 1","-P 3 2""c","165","","Sr6 Rh5 O15","","- Sr6 -","- Sr6 -","- Sr6 -","1","0.0833333","","Stitzer, K.E.; El Abed, A.; Darriet, J.; zur Loye, H.C.","Growth of Sr6 Rh5 O15 single crystals from high-temperature solutions: structure determination using the traditional 3-D and the 4-D superspace group methods and magnetic measurements on oriented single crystals","Journal of the American Chemical Society","2001","123","","8790","8796","","","","","","","","","","","","","","","","","","","","","","has coordinates","147935","2020-10-21","18:00:00",""
"4126698","25.1468","0.0007","25.1468","0.0007","41.5163","0.0012","90","","90","","120","","22736","1.1","273","2","273","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C147 H102 Co3 N3 O54 Ti4 -","- C147 H102 Co3 N3 O54 Ti4 -","- C588 H408 Co12 N12 O216 Ti16 -","4","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.107","0.0848","","","0.2561","0.274","","","","","","1.036","","","","has coordinates","202911","2020-10-21","18:00:00",""
"4126784","9.8396","0.0008","9.8396","0.0008","14.3443","0.0012","90","","90","","120","","1202.72","0.17","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","tetramethylammonium thorium hexanitrate","","","- C8 H24 N8 O18 Th -","- C8 H23.9994 N8 O18 Th -","- C16 H47.9988 N16 O36 Th2 -","2","0.166667","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0263","0.0157","","","0.0323","0.036","","","","","","1.107","","","","has coordinates","203795","2020-10-21","18:00:00",""
"4127654","12.7792","0.0001","12.7792","0.0001","32.6497","0.0004","90","","90","","120","","4617.61","0.08","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C33 H30 Cl0 S10 Sn4 W3 -","- C33 H30 S10 Sn4 W3 -","- C132 H120 S40 Sn16 W12 -","4","0.333333","","Dornsiepen, Eike; Pieck, Fabian; Tonner, Ralf; Dehnen, Stefanie","[{(PhSn)<sub>3</sub>SnS<sub>6</sub>}{(MCp)<sub>3</sub>S<sub>4</sub>}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers.","Journal of the American Chemical Society","2019","141","41","16494","16500","10.1021/jacs.9b09209","","","1.54178","CuKα","","0.0604","0.0592","","","0.1578","0.1591","","","","","","1.066","","","","has coordinates","220860","2020-10-21","18:00:00",""
"4127655","12.9068","0.0001","12.9068","0.0001","32.3654","0.0004","90","","90","","120","","4669.27","0.08","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C33 H30 Cl Mo3 S9 Sn4 -","- C33 H30 Mo3 S10 Sn4 -","- C132 H120 Mo12 S40 Sn16 -","4","0.333333","","Dornsiepen, Eike; Pieck, Fabian; Tonner, Ralf; Dehnen, Stefanie","[{(PhSn)<sub>3</sub>SnS<sub>6</sub>}{(MCp)<sub>3</sub>S<sub>4</sub>}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers.","Journal of the American Chemical Society","2019","141","41","16494","16500","10.1021/jacs.9b09209","","","1.54178","CuKα","","0.0479","0.04","","","0.1059","0.1103","","","","","","1.005","","","","has coordinates","220861","2020-10-21","18:00:00",""
"4128045","21.246","0.0004","21.246","0.0004","58.2102","0.0012","90","","90","","120","","22755.4","0.8","93","2","93.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C170.68 H116.03 Ce0.5 Co4 N36 O17.67 Zn3 -","- C170.676 H116.028 Ce0.5 Co4 N36 O17.676 Zn3 -","- C682.704 H464.112 Ce2 Co16 N144 O70.704 Zn12 -","4","0.333333","","Ube, Hitoshi; Endo, Kenichi; Sato, Hiroyasu; Shionoya, Mitsuhiko","Synthesis of Hetero-multinuclear Metal Complexes by Site-Selective Redox Switching and Transmetalation on a Homo-multinuclear Complex.","Journal of the American Chemical Society","2019","141","26","10384","10389","10.1021/jacs.9b04123","","","1.54184","CuKα","","0.1272","0.0994","","","0.2993","0.323","","","","","","1.147","","","","has coordinates,has disorder","221178","2020-10-21","18:00:00",""
"4130172","16.294","0.0009","16.294","0.0009","31.752","0.0018","90","0.005","90","0.005","120","0.005","7300.6","0.8","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C58 H46 N20 O24 S3 Zn8 -","- C54 H18 N18 O24 S3 Zn8 -","- C108 H36 N36 O48 S6 Zn16 -","2","0.166667","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.0858","0.0618","","","0.2251","0.2547","","","","","","1.034","","","","has coordinates","240723","2020-10-21","18:00:00",""
"4130173","18.213","0.0006","18.213","0.0006","31.7057","0.0012","90","","90","","120","","9108.2","0.5","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C64 H52 N20 O24 S9 Zn8 -","- C60 H36 N18 O24 S9 Zn8 -","- C120 H72 N36 O48 S18 Zn16 -","2","0.166667","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.0698","0.0506","","","0.1563","0.1659","","","","","","1.08","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130174","18.748","0.004","18.748","","31.892","0.006","90","","90","","120","","9708","3","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C70 H52 N20 O24 S3 Zn8 -","- C66 H36 N18 O24 S3 Zn8 -","- C132 H72 N36 O48 S6 Zn16 -","2","0.166667","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.1075","0.0711","","","0.1604","0.1693","","","","","","1.016","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4131934","10.9642","0.0002","10.9642","0.0002","14.3772","0.0004","90","","90","","120","","1496.78","0.06","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(ditetrazolylpropyl) copper(II) chlorate","tris(ditetrazolylpropyl) copper(II) chlorate'","","- C15 H24 Cl2 Cu N24 O6 -","- C15 H24 Cl2 Cu N24 O6 -","- C30 H48 Cl4 Cu2 N48 O12 -","2","0.166667","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.0375","0.0289","","","0.0758","0.0818","","","","","","1.061","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4132185","15.2838","0.001","15.2838","0.001","27.213","0.0019","90","","90","","120","","5505.2","0.6","100","2","100","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C66 H66 O3 -","- C66 H66 O3 -","- C264 H264 O12 -","4","0.333333","","Moneypenny, 2nd, Timothy P; Yang, Anna; Walter, Nathan P.; Woods, Toby J.; Gray, Danielle L.; Zhang, Yang; Moore, Jeffrey S.","Product Distribution from Precursor Bite Angle Variation in Multitopic Alkyne Metathesis: Evidence for a Putative Kinetic Bottleneck.","Journal of the American Chemical Society","2018","140","17","5825","5833","10.1021/jacs.8b02184","","","0.71073","MoKα","","0.1215","0.1176","","","0.2209","0.2227","","","","","","1.299","","","","has coordinates,has disorder","301835","2025-08-20","18:54:27",""
"4134356","13.807","0.005","13.807","0.005","25.285","0.009","90","","90","","120","","4174","3","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","18083-Ni(LiL)3","","","- C39 H63 Li3 N3 Ni P3 -","- C39 H63 Li3 N3 Ni P3 -","- C156 H252 Li12 N12 Ni4 P12 -","4","0.333333","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0572","0.038","","","0.075","0.0814","","","","","","1.1","","","","has coordinates","301835","2025-08-20","18:54:31",""
"4301781","13.7343","0.0019","13.7343","0.0019","24.61","0.005","90","","90","","120","","4020.3","1.1","293","2","293","2","","","","","","","","10","P -3 c 1","-P 3 2""c","165","","","","- C60 H74 B2 Br2 Cu6 F8.8 N18 P2 S6 W2 -","- C60 H74 B2 Br2 Cu6 F8.8 N18 P2 S6 W2 -","- C120 H148 B4 Br4 Cu12 F17.6 N36 P4 S12 W4 -","2","0.166667","","Zhen-Hong Wei; Hong-Xi Li; Mei-Ling Cheng; Xiao-Yan Tang; Yang Chen; Yong Zhang; Jian-Ping Lang","Monomeric, Dimeric and Polymeric W/Cu/S Clusters Based on [Et4N][Tp*W(μ3-S)3(CuBr)3] and Various Nitrogen Donor Ligands","Inorganic Chemistry","2009","48","","2808","2817","10.1021/ic8019342","","","0.71073","MoKα","","0.0761","0.0667","","","0.124","0.1274","","","","","","1.323","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303165","10.031","0.002","10.031","0.002","24.859","0.006","90","","90","","120","","2166.2","0.8","93.1","","","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H36 Cl4 Fe2 N18 O16 -","- C30 H36 Cl4 Fe2 N18 O16 -","- C60 H72 Cl8 Fe4 N36 O32 -","2","0.166667","","Yukinari Sunatsuki; Ryohei Kawamoto; Kunihiro Fujita; Hisashi Maruyama; Takayoshi Suzuki; Hiroyuki Ishida; Masaaki Kojima; Seiichiro Iijima; Naohide Matsumoto","Structures and Spin States of Bis(tridentate)-Type Mononuclear and Triple Helicate Dinuclear Iron(II) Complexes of Imidazole-4-carbaldehyde azine","Inorganic Chemistry","2009","48","","8784","8795","10.1021/ic900977m","","","0.71075","MoKα","","","0.0393","","","","0.1188","","","","","","1.109","","","","has coordinates","301836","2025-08-20","19:34:55",""
"4303341","8.7311","0.0004","8.7311","","23.309","0.0017","90","","90","","120","","1538.84","0.13","298","2","298","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- O72 P18 Th1.5 Zr12 -","- O72 P18 Th1.5 Zr12 -","- O72 P18 Th1.5 Zr12 -","1","0.0833333","","Albina I. Orlova; Valeriy Yu.Volgutov; Germán R. Castro; Santiago García-Granda; Sergei A. Khainakov; José R. García","Synthesis and Crystal Structure of NZP-Type Thorium-Zirconium Phosphate","Inorganic Chemistry","2009","48","","9046","9047","10.1021/ic9013812","","x-ray","0.82456","synchrotron","","","","","","","","","","1.87","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303859","13.8684","0.0006","13.8684","0.0006","18.6368","0.0016","90","","90","","120","","3104.2","0.3","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","indiumphosphite","","","- C H4.33 In1.33 N0 O8 P2.33 -","- C H4.33333 In1.33333 O8 P2.33333 -","- C12 H52 In16 O96 P28 -","12","1","","Padmini Ramaswamy; Nayana N. Hegde; Ramanath Prabhu; V. M. Vidya; Ayan Datta; Srinivasan Natarajan","Synthesis, Structure, and Transformation Studies in a Family of Inorganic-Organic Hybrid Framework Structures Based on Indium","Inorganic Chemistry","2009","48","","11697","11711","10.1021/ic901744m","","","0.71073","MoKα","","0.0838","0.0695","","","0.1625","0.1714","","","","","","1.169","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4305802","10.5565","0.0004","10.5565","0.0004","10.2081","0.0009","90","","90","","120","","985.18","0.1","130","2","130","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","compound 1, polymorph beta","","","- C18 H18 Cr N3 O6 -","- C18 H18 Cr N3 O6 -","- C36 H36 Cr2 N6 O12 -","2","0.166667","","Malgorzata Kondracka; Ulli Englert","Bimetallic Coordination Polymers via Combination of Substitution-Inert Building Blocks and Labile Connectors","Inorganic Chemistry","2008","47","","10246","10257","10.1021/ic800748f","","","0.71073","MoKα","","0.0587","0.0565","","","0.1517","0.1536","","","","","","1.131","","","","has coordinates","301836","2025-08-20","19:34:57",""
"4309265","19.617","0.0008","19.617","0.0008","23.2168","0.0014","90","","90","","120","","7737.5","0.6","173","2","173","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C69 H96 N6 Ni3 O6 -","- C69 H96 N6 Ni3 O6 -","- C276 H384 N24 Ni12 O24 -","4","0.333333","","Thorsten Glaser; Maik Heidemeier; Roland Fröhlich; Peter Hildebrandt; Eberhart Bothe; Eckhard Bill","Trinuclear Nickel Complexes with Triplesalen Ligands: Simultaneous Occurrence of Mixed Valence and Valence Tautomerism in the Oxidized Species","Inorganic Chemistry","2005","44","","5467","5482","10.1021/ic050268x","","","0.71073","MoKα","","0.0557","0.0374","","","0.1028","0.1066","","","","","","0.927","","","","has coordinates","301836","2025-08-20","19:35:01",""
"4309880","13.1066","0.0003","13.1066","0.0003","23.9243","0.0011","90","","90","","120","","3559.2","0.2","295","2","295","2","","","","","","","","9","P -3 c 1","-P 3 2""c","165","","","","- C6 H9 Br2.5 Cs3.5 K N6 O4.5 Te7 W3 -","- C6 Br2.5 Cs3.5 K0.999 N6 O4.5 Te7 W3 -","- C24 Br10 Cs14 K3.996 N24 O18 Te28 W12 -","4","0.333333","","Maxim N. Sokolov; Pavel A. Abramov; Artem L. Gushchin; Irina V. Kalinina; Dmitry Y. Naumov; Alexander V. Virovets; Eugenia V. Peresypkina; Cristian Vicent; Rosa Llusar; Vladimir P. Fedin","Synthesis and Reactivity of W3Te74+ Clusters and Chalcogen Exchange in the M3Q7 (M = Mo, W; Q = S, Se, Te) Cluster Family","Inorganic Chemistry","2005","44","","8116","8124","10.1021/ic050962c","","","0.71073","MoKα","","0.0474","0.0351","","","0.0921","0.0956","","","","","","1.029","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309881","12.916","0.0015","12.916","0.0015","23.08","0.006","90","","90","","120","","3334.4","1","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C6 H15 I2.5 K3 Mo3 N7.5 O4.5 Se7 -","- C6 I2.5 K3 Mo3 N7.495 O4.5 Se7 -","- C24 I10 K12 Mo12 N29.98 O18 Se28 -","4","0.333333","","Maxim N. Sokolov; Pavel A. Abramov; Artem L. Gushchin; Irina V. Kalinina; Dmitry Y. Naumov; Alexander V. Virovets; Eugenia V. Peresypkina; Cristian Vicent; Rosa Llusar; Vladimir P. Fedin","Synthesis and Reactivity of W3Te74+ Clusters and Chalcogen Exchange in the M3Q7 (M = Mo, W; Q = S, Se, Te) Cluster Family","Inorganic Chemistry","2005","44","","8116","8124","10.1021/ic050962c","","x-ray","0.71073","MoKα","","0.0627","0.0423","","","0.1112","0.1185","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311097","46.976","0.002","46.976","0.002","22.8013","0.0011","90","","90","","120","","43575","3","133","2","133","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","MSU4S","","","- C93 H144 Cl60 Mo6 N12 O21 -","- C76.5 H111 Cl27 Mo6 N12 O21 -","- C918 H1332 Cl324 Mo72 N144 O252 -","12","1","","Françoise Conan; Benoît Le Gall; Jean-Michel Kerbaol; Sylvie Le Stang; Jean Sala Pala; Yves Le Mest; John Bacsa; Xiang Ouyang; Kim R. Dunbar; Charles F. Campana","Electrochemical, Spectroscopic, and Structural Evidence for the Mild Hydrolysis of Tetracyanoethylene, TCNE, To Form the 2,3,3-Tricyanoacrylamidate Ligand: Isolation of an Unexpected Quadruply-Bonded Polymeric Material [Mo2(O2CCMe3)3((NC)2CC(CN)CONH)]\ιnfty","Inorganic Chemistry","2004","43","","3673","3681","10.1021/ic0351186","","","0.71073","MoKα","","0.1852","0.1581","","","0.3054","0.315","","","","","","1.0204","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311764","19.132","0.002","19.132","0.002","20.4073","0.0017","90","","90","","120","","6469","1.1","295","","295","","","","","","","","?","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H54 Cl12 N3 O6 Rh3 -","- C48 H54 Cl12 N3 O6 Rh3 -","- C192 H216 Cl48 N12 O24 Rh12 -","4","0.333333","","Lamia Mimassi; Carine Guyard-Duhayon; Marie Noelle Rager; Hani Amouri","Chiral Recognition and Resolution of the Enantiomers of Supramolecular Triangular Hosts: Synthesis, Circular Dichroism, NMR, and X-ray Molecular Structure of [Li@(R,R,R)-{Cp*Rh(5-chloro-2,3-dioxopyridine)}3][Δ-Trisphat]","Inorganic Chemistry","2004","43","","6644","6649","10.1021/ic049361w","","","0.71073","MoKα","","0.1569","0.063","","0.1358","0.057","0.057","","","","","","0.8233","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4313975","15.659","0.002","15.659","0.002","14.032","0.003","90","","90","","120","","2979.7","0.8","133","2","133","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","compound 9","","- C27 H49 In N -","- C27.06 H50.13 In N -","- C108.24 H200.52 In4 N4 -","4","0.333333","","Marcus Schiefer; N. Dastagiri Reddy; Hans-Jürgen Ahn; Andreas Stasch; Herbert W. Roesky; A. Christine Schlicker; Hans-Georg Schmidt; Mathias Noltemeyer; Denis Vidovic","Neutral and Ionic Aluminum, Gallium, and Indium Compounds Carrying Two or Three Terminal Ethynyl Groups","Inorganic Chemistry","2003","42","","4970","4976","10.1021/ic0342806","","","0.71073","MoKα","","0.0397","0.0299","","","0.0714","0.0777","","","","","","1.071","","","","has coordinates,has disorder","179207","2020-10-21","18:00:00",""
"4314458","15.5135","0.0005","15.5135","0.0005","51.3543","0.0017","90","","90","","120","","10703.5","0.6","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C82 H150 Cl Fe11 N8 O37 -","- C72 H135 Fe11 N3 O37 -","- C288 H540 Fe44 N12 O148 -","4","0.333333","","Ayuk M. Ako; Valeriu Mereacre; Yanhua Lan; Wolfgang Wernsdorfer; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell","An Undecanuclear FeIII Single-Molecule Magnet","Inorganic Chemistry","2010","49","","1","3","10.1021/ic901747w","","","0.71073","MoKα","","0.0535","0.0459","","","0.1384","0.1418","","","","","","1.235","","","","has coordinates,has disorder","179218","2020-10-21","18:00:00",""
"4314468","24.7918","0.0004","24.7918","0.0004","16.0672","0.0005","90","","90","","120","","8552.4","0.3","150","1","150","1","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C138 H156 Ag8 B8 F32 N54 O12 -","- C138 H156 Ag8 B8 F32 N54 O12 -","- C276 H312 Ag16 B16 F64 N108 O24 -","2","0.166667","","Daniel L. Reger; Elizabeth A. Foley; Mark D. Smith","Structural Impact of Multitopic Third-Generation Bis(1-pyrazolyl)methane Ligands: Double, Mononuclear Metallacyclic Silver(I) Complexes","Inorganic Chemistry","2010","49","","234","242","10.1021/ic901899r","","","0.71073","MoKα","","0.0427","0.0365","","","0.1","0.1049","","","","","","1.046","","","","has coordinates","301837","2025-08-20","21:36:54",""
"4314960","16.6042","0.0008","16.6042","0.0008","17.7297","0.0017","90","","90","","120","","4233.2","0.5","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C18 H34 F6 O10 S2 Ti -","- C18 H34 F6 O10 S2 Ti -","- C108 H204 F36 O60 S12 Ti6 -","6","0.5","","Edmond Y. Njua; Alexander Steiner; Lothar Stahl","Syntheses and Structures of Cationic and Neutral, Homo- and Heteroleptic tert-Butoxides of the Group 4 Metals","Inorganic Chemistry","2010","49","","2163","2172","10.1021/ic9019537","","","0.71073","MoKα","","0.0607","0.051","","","0.1402","0.1484","","","","","","1.018","","","","has coordinates,has disorder","301837","2025-08-20","21:36:55",""
"4315424","12.073","0.005","12.073","0.005","32.033","0.005","90","0.005","90","0.005","120","0.005","4044","2","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C36 H55 Fe N9 O5 P S -","- C36 H55 Fe N9 O5 P S -","- C144 H220 Fe4 N36 O20 P4 S4 -","4","0.333333","","Vadapalli Chandrasekhar; Ramachandran Azhakar; Balasubramanian Murugesapandian; Tapas Senapati; Prasenjit Bag; Mrituanjay D. Pandey; Sandeep Kumar Maurya; Debabrata Goswami","Synthesis, Structure, and Two-Photon Absorption Studies of a Phosphorus-Based Tris Hydrazone Ligand (S)P[N(Me)N=CH-C6H3-2-OH-4-N(CH2CH3)2]3 and Its Metal Complexes","Inorganic Chemistry","2010","49","","4008","4016","10.1021/ic901531e","","","0.71069","MoKα","","0.1881","0.1766","","","0.4215","0.4259","","","","","","1.158","","","","has coordinates","301837","2025-08-20","21:36:55",""
"4317137","18.867","0.003","18.867","0.003","23.072","0.009","90","","90","","120","","7112","3","173","2","173","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","HfONep H2O","","","- C98 H216 Hf6 O22 -","- C98 H216 Hf6 O22 -","- C196 H432 Hf12 O44 -","2","0.166667","","Timothy J. Boyle; Leigh Anna M. Ottley; Sarah M. Hoppe; Charles F. Campana","Series of Comparable Dinuclear Group 4 Neo-pentoxide Precursors for Production of pH Dependent Group 4 Nanoceramic Morphologies","Inorganic Chemistry","2010","49","","10798","10808","10.1021/ic101205d","","","0.71073","MoKα","","0.0397","0.0353","","","0.0787","0.081","","","","","","1.092","","","","has coordinates,has disorder","301837","2025-08-20","21:36:57",""
"4317138","18.9319","0.0016","18.9319","0.0016","23.033","0.003","90","","90","","120","","7149.4","1.3","173","2","173","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","ZrONep H2O","","","- C49 H108 O11 Zr3 -","- C49 H108 O11 Zr3 -","- C196 H432 O44 Zr12 -","4","0.333333","","Timothy J. Boyle; Leigh Anna M. Ottley; Sarah M. Hoppe; Charles F. Campana","Series of Comparable Dinuclear Group 4 Neo-pentoxide Precursors for Production of pH Dependent Group 4 Nanoceramic Morphologies","Inorganic Chemistry","2010","49","","10798","10808","10.1021/ic101205d","","","0.71073","MoKα","","0.0452","0.043","","","0.107","0.1085","","","","","","1.144","","","","has coordinates,has disorder","301837","2025-08-20","21:36:57",""
"4317192","16.1863","0.0007","16.1863","0.0007","25.7751","0.0018","90","","90","","120","","5848.3","0.5","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C45 H78 Fe4 O P3 S4 Si -","- C45 H78 Fe4 O P3 S4 Si -","- C180 H312 Fe16 O4 P12 S16 Si4 -","4","0.333333","","Liang Deng; Amit Majumdar; Wayne Lo; R. H. Holm","Stabilization of 3:1 Site-Differentiated Cubane-Type Clusters in the [Fe4S4]1+ Core Oxidation State by Tertiary Phosphine Ligation: Synthesis, Core Structural Diversity, and S= 1/2 Ground States","Inorganic Chemistry","2010","49","","11118","11126","10.1021/ic101702b","","","0.71073","MoKα","","0.0265","0.0239","","","0.0755","0.0773","","","","","","1.206","","","","has coordinates","301837","2025-08-20","21:36:57",""
"4318819","10.61","0.002","10.61","0.002","41.124","0.011","90","","90","","120","","4009.2","1.5","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C81 H72 B4 F16 N12 Zn2 -","- C81 H72 B4 F16 N12 Zn2 -","- C162 H144 B8 F32 N24 Zn4 -","2","0.166667","","Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin","Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing","Inorganic Chemistry","2002","41","","5978","5985","10.1021/ic0203623","","","0.71073","MoKα","","0.0735","0.0615","","","0.185","0.194","","","","","","1.013","","","","has coordinates,has disorder","301837","2025-08-20","21:36:58",""
"4318820","10.6126","0.001","10.6126","0.001","40.831","0.005","90","","90","","120","","3982.6","0.7","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C81 H72 B4 Co2 F16 N12 -","- C81 H72 B4 Co2 F16 N12 -","- C162 H144 B8 Co4 F32 N24 -","2","0.166667","","Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin","Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing","Inorganic Chemistry","2002","41","","5978","5985","10.1021/ic0203623","","","0.71073","MoKα","","0.1477","0.0667","","","0.1381","0.1597","","","","","","1.015","","","","has coordinates,has disorder","301837","2025-08-20","21:36:58",""
"4318821","10.6848","0.0015","10.6848","0.0015","41.052","0.008","90","","90","","120","","4058.8","1.1","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C81 H72 B4 F16 Mn2 N12 -","- C81 H72 B4 F16 Mn2 N12 -","- C162 H144 B8 F32 Mn4 N24 -","2","0.166667","","Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin","Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing","Inorganic Chemistry","2002","41","","5978","5985","10.1021/ic0203623","","","0.71073","MoKα","","0.0906","0.0672","","","0.1983","0.21","","","","","","1.078","","","","has coordinates,has disorder","301837","2025-08-20","21:36:58",""
"4318822","10.5469","0.0008","10.5469","0.0008","40.909","0.004","90","","90","","120","","3940.9","0.6","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C78 H66 B4 Co2 F16 N12 O3 -","- C78 H66 B4 Co2 F16 N12 O3 -","- C156 H132 B8 Co4 F32 N24 O6 -","2","0.166667","","Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin","Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing","Inorganic Chemistry","2002","41","","5978","5985","10.1021/ic0203623","","","0.71073","MoKα","","0.1527","0.0729","","","0.169","0.1947","","","","","","1.042","","","","has coordinates,has disorder","179268","2020-10-21","18:00:00",""
"4318823","10.5469","0.0008","10.5469","0.0008","40.909","0.004","90","","90","","120","","3940.9","0.6","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C78 H66 B4 F16 N12 O3 Zn2 -","- C78 H66 B4 F16 N12 O3 Zn2 -","- C156 H132 B8 F32 N24 O6 Zn4 -","2","0.166667","","Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin","Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing","Inorganic Chemistry","2002","41","","5978","5985","10.1021/ic0203623","","","0.71073","MoKα","","0.1065","0.0562","","","0.1353","0.1455","","","","","","1.005","","","","has coordinates,has disorder","179268","2020-10-21","18:00:00",""
"4318824","10.6183","0.0018","10.6183","0.0018","40.843","0.01","90","","90","","120","","3988","1.4","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C78 H66 B4 F16 Mn2 N12 O3 -","- C78 H66 B4 F16 Mn2 N12 O3 -","- C156 H132 B8 F32 Mn4 N24 O6 -","2","0.166667","","Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin","Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing","Inorganic Chemistry","2002","41","","5978","5985","10.1021/ic0203623","","","0.71073","MoKα","","0.1211","0.0642","","","0.1717","0.1921","","","","","","1.031","","","","has coordinates,has disorder","179268","2020-10-21","18:00:00",""
"4318837","26.166","0.009","26.166","0.009","17.935","0.011","90","","90","","120","","10634","8","173","2","173","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","(CO)4Mo[(PPh2OCH2)2-nBu4Clx, 14c","","","- C76 H80 Mo O10 P2 -","- C78 H82 Mo O10 P2 -","- C468 H492 Mo6 O60 P12 -","6","0.5","","Daniel R. Evans; Mingsheng Huang; James C. Fettinger; Tracie L. Williams","Synthesis and Characterization of Diametrically Substituted Tetra-O-n-butylcalix[4]arene Ligands and Their Chelated Complexes of Titanium, Molybdenum, and Palladium","Inorganic Chemistry","2002","41","","5986","6000","10.1021/ic020446b","","","0.71073","MoKα","","0.0645","0.0474","","","0.122","0.1437","","","","","","1.013","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4320907","11.098","0.002","11.098","0.002","14.844","0.002","90","","90","","120","","1583.3","0.5","200","","200","","","","","","","","see text","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H48 Cl4 Fe2 N48 O16 -","- C30 H48 Cl4 Fe2.004 N48 O16 -","- C30 H48 Cl4 Fe2.004 N48 O16 -","1","0.0833333","","Petra J. van Koningsbruggen; Yann Garcia; Olivier Kahn; Léopold Fournès; Huub Kooijman; Anthony L. Spek; Jaap G. Haasnoot; Jacques Moscovici; Karine Provost; Alain Michalowicz; Franz Renz; Philipp Gütlich","Synthesis, Crystal Structure, EXAFS, and Magnetic Properties of Catena [μ-Tris(1,2-bis(tetrazol-1-yl)propane-N1,N1')iron(II)] Bis(perchlorate). First Crystal Structure of an Iron(II) Spin-Crossover Chain Compound","Inorganic Chemistry","2000","39","","1891","1900","10.1021/ic991118n","","","0.71073","MoKα","","0.088","0.0519","","","0.108","0.1208","","","","","","1.105","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4320908","11.0301","0.0018","11.0301","0.0018","14.5458","0.0018","90","","90","","120","","1532.6","0.4","100","","100","","","","","","","","see text","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H48 Cl4 Fe2 N48 O16 -","- C30 H48 Cl4 Fe2.004 N48 O16 -","- C30 H48 Cl4 Fe2.004 N48 O16 -","1","0.0833333","","Petra J. van Koningsbruggen; Yann Garcia; Olivier Kahn; Léopold Fournès; Huub Kooijman; Anthony L. Spek; Jaap G. Haasnoot; Jacques Moscovici; Karine Provost; Alain Michalowicz; Franz Renz; Philipp Gütlich","Synthesis, Crystal Structure, EXAFS, and Magnetic Properties of Catena [μ-Tris(1,2-bis(tetrazol-1-yl)propane-N1,N1')iron(II)] Bis(perchlorate). First Crystal Structure of an Iron(II) Spin-Crossover Chain Compound","Inorganic Chemistry","2000","39","","1891","1900","10.1021/ic991118n","","","0.71073","MoKα","","0.0815","0.0503","","","0.1145","0.1278","","","","","","1.068","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4321566","9.866","0.0003","9.866","0.0003","20.8427","0.0007","90","","90","","120","","1756.98","0.1","293","2","293","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C8 H18 N2 Se2 -","- C8 H18 N2 Se2 -","- C48 H108 N12 Se12 -","6","0.5","","Tiina Maaninen; Tristram Chivers; Risto Laitinen; Gabriele Schatte; Maija Nissinen","Selenium Imides: 77Se NMR Investigations of the SeCl2-tBuNH2 Reaction and X-ray Structures of Se3(NtBu)3, tBuNSe(μ-NtBu)2SO2, and tBuNSe(μ-NtBu)2SeO","Inorganic Chemistry","2000","39","","5341","5347","10.1021/ic000598b","","","0.71073","MoKα","","0.0452","0.0381","","","0.0899","0.103","","","","","","0.322","","","","has coordinates","301838","2025-08-20","22:17:33",""
"4325821","13.936","0.002","13.936","0.002","24.01","0.005","90","","90","","120","","4038.3","1.2","298","2","298","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C60 H78 Cl2 N6 Ni7 O26 -","- C60 H78 Cl2 N6 Ni7 O26 -","- C120 H156 Cl4 N12 Ni14 O52 -","2","0.166667","","Lian-Qiang Wei; Kun Zhang; Ying-Chun Feng; Yun-Hong Wang; Ming-Hua Zeng; Mohamedally Kurmoo","Microwave versus Traditional Solvothermal Synthesis of Ni7II Discs: Effect of Ligand on Exchange Reaction in Solution Studied by Electrospray Ionization-Mass Spectroscopy and Magnetic Properties","Inorganic Chemistry","2011","50","","7274","7283","10.1021/ic200883b","","","0.71073","MoKα","","0.1053","0.0697","","","0.1985","0.2157","","","","","","1.137","","","","has coordinates","301838","2025-08-20","22:17:42",""
"4326891","19.0918","0.0017","19.0918","0.0017","23.342","0.002","90","","90","","120","","7368.2","1.1","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","JW251","","","- C49 H108 Ce3 O11 -","- C49 H108 Ce3 O11 -","- C196 H432 Ce12 O44 -","4","0.333333","","Helen C. Aspinall; John Bacsa; Anthony C. Jones; Jacqueline S. Wrench; Kate Black; Paul R. Chalker; Peter J. King; Paul Marshall; Matthew Werner; Hywel O. Davies; Rajesh Odedra","Ce(IV) Complexes with Donor-Functionalized Alkoxide Ligands: Improved Precursors for Chemical Vapor Deposition of CeO2","Inorganic Chemistry","2011","50","","11644","11652","10.1021/ic201593s","","","0.71073","MoKα","","0.0718","0.0474","","","0.1135","0.1221","","","","","","0.969","","","","has coordinates","301838","2025-08-20","22:17:43",""
"4328251","25.2196","0.0002","25.2196","0.0002","13.2361","0.0001","90","","90","","120","","7290.66","0.1","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C132 H186 F6 N26 Ni3 O24 -","- C132 H174 F6 N26 Ni3 O24 -","- C264 H348 F12 N52 Ni6 O48 -","2","0.166667","","Long Jiang; Xian-Rui Meng; Hua Xiang; Ping Ju; Di-Chang Zhong; Tong-Bu Lu","Variations of Structures and Gas Sorption Properties of Three Coordination Polymers Induced by Fluorine Atom Positions in Azamacrocyclic Ligands","Inorganic Chemistry","2012","51","","1874","1880","10.1021/ic202168r","","","1.54178","CuKα","","0.069","0.0662","","","0.2091","0.214","","","","","","1.09","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328252","25.2592","0.0004","25.2592","0.0004","13.1462","0.0003","90","","90","","120","","7263.9","0.2","110","2","110","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C132 H186 F6 N26 Ni3 O24 -","- C132 H174 F6 N26 Ni3 O24 -","- C264 H348 F12 N52 Ni6 O48 -","2","0.166667","","Long Jiang; Xian-Rui Meng; Hua Xiang; Ping Ju; Di-Chang Zhong; Tong-Bu Lu","Variations of Structures and Gas Sorption Properties of Three Coordination Polymers Induced by Fluorine Atom Positions in Azamacrocyclic Ligands","Inorganic Chemistry","2012","51","","1874","1880","10.1021/ic202168r","","","1.54178","CuKα","","0.0548","0.0441","","","0.1466","0.1506","","","","","","1.097","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328719","12.5582","0.0004","12.5582","0.0004","19.787","0.0006","90","","90","","120","","2702.5","0.15","296","2","296","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Cs3 Ge7 O18 U -","- Cs3 Ge7 O18 U -","- Cs18 Ge42 O108 U6 -","6","0.5","","Quang Bac Nguyen; Chun-Liang Chen; Yun-Wei Chiang; Kwang-Hwa Lii","Cs3UGe7O18: A Pentavalent Uranium Germanate Containing Four- and Six-Coordinate Germanium","Inorganic Chemistry","2012","51","","3879","3882","10.1021/ic3000872","","","0.71073","MoKα","","0.0268","0.0204","","","0.0519","0.0544","","","","","","1.04","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4329467","16.3325","0.0007","16.3325","0.0007","27.1616","0.0015","90","","90","","120","","6274.7","0.5","180","2","180","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","tris(μ~3~-phenylselenido)-tris(μ~2~-phenylselenido)-tris(trimethylphosphine) -methyl-tetra-copper-gallium pentane solvate tetrahydrofuran solvate","","- C54.5 H60 Cu4 Ga O1.5 P3 Se6 -","- C54.49 H59.97 Cu4 Ga O1.5 P3 Se6 -","- C217.96 H239.88 Cu16 Ga4 O6 P12 Se24 -","4","0.333333","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0429","0.0345","","","0.072","0.0744","","","","","","0.97","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332737","17.8627","0.001","17.8627","0.001","45.776","0.005","90","","90","","120","","12649.2","1.7","173","2","173","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C68 H104 B3 Cl Fe3 N39 Ni2 O19 -","- C68 H103.94 B3 Cl Fe3 N39 Ni2 O19 -","- C272 H415.76 B12 Cl4 Fe12 N156 Ni8 O76 -","4","0.333333","","Gu, Zhi-Guo; Yang, Qiao-Fang; Liu, Wei; Song, You; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Cyano-Bridged Pentanuclear FeIII3MII2(M = Ni, Co, Fe) Clusters: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2006","45","22","8895","8901","10.1021/ic060772h","","","0.71073","MoKα","","0.0798","0.0509","","","0.1258","0.1308","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332738","18.0622","0.0019","18.0622","0.0019","45.948","0.01","90","","90","","120","","12982","3","293","2","173","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C68 H104 B4 F4 Fe5 N39 O15 -","- C68 H104 B4 F4 Fe5 N39 O15 -","- C272 H416 B16 F16 Fe20 N156 O60 -","4","0.333333","","Gu, Zhi-Guo; Yang, Qiao-Fang; Liu, Wei; Song, You; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Cyano-Bridged Pentanuclear FeIII3MII2(M = Ni, Co, Fe) Clusters: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2006","45","22","8895","8901","10.1021/ic060772h","","","0.71073","MoKα","","0.097","0.0586","","","0.1106","0.1174","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333191","5.8494","0.0001","5.8494","0.0001","13.3086","0.0002","90","","90","","120","","394.353","0.011","273","2","273","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- H3 Na O9 S2 Zn3 -","- H3 Na O9 S2 Zn3 -","- H6 Na2 O18 S4 Zn6 -","2","0.166667","","Nguyen, Dan-Tam; Bu, Xianhui","Sodium Zinc Hydroxide Sulfite with a Novel Zn3OH Geometry","Inorganic Chemistry","2006","45","26","10410","10412","10.1021/ic061672e","","","0.71073","MoKα","","0.0219","0.0169","","","0.0433","0.0443","","","","","","1.148","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4334547","16.1581","0.0008","16.1581","0.0008","23.4646","0.0013","90","","90","","120","","5305.5","0.5","120","","120","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Fe2 N3 P4 -","- C48 H60 Fe2 N3 P4 -","- C192 H240 Fe8 N12 P16 -","4","0.333333","","Subramaniam Kuppuswamy; Tamara M. Powers; Bruce M. Johnson; Mark W. Bezpalko; Carl K. Brozek; Bruce M. Foxman; Louise A. Berben; Christine M. Thomas","Metal-Metal Interactions in C3-Symmetric Diiron Imido Complexes Linked by Phosphinoamide Ligands","Inorganic Chemistry","2013","52","","4802","4811","10.1021/ic302108k","","","0.71073","MoKα","","0.0468","0.0277","","0.0773","0.0648","0.0773","","","","","","0.998","","","","has coordinates","301839","2025-08-20","22:57:38",""
"4335364","17.0471","0.0016","17.0471","0.0016","22.921","0.003","90","","90","","120","","5768.5","1.1","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C42 H85 N6 O9 P Pd3 -","- C42 H81 N6 O9.025 P Pd3 -","- C168 H324 N24 O36.1 P4 Pd12 -","4","0.333333","","Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar","Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents","Inorganic Chemistry","2013","52","","7608","7614","10.1021/ic400686e","","","0.71073","MoKα","","0.1243","0.0614","","","0.1843","0.225","","","","","","0.88","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4336839","23.868","0.0015","23.868","0.0015","11.2498","0.0007","90","","90","","120","","5550.2","0.6","100","1","100","1","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C30.58 H21.17 Cl3.17 F N2 O4 Pd2 -","- C30.3611 H21.2 Cl3.16668 F0.85 N2 O4 Pd2 -","- C182.167 H127.2 Cl19.0001 F5.1 N12 O24 Pd12 -","6","0.5","","Michael G. Campbell; Shao-Liang Zheng; Tobias Ritter","One-Dimensional Palladium Wires: Influence of Molecular Changes on Supramolecular Structure","Inorganic Chemistry","2013","52","","13295","13297","10.1021/ic4019635","","","0.71073","MoKα","","0.0689","0.0532","","","0.1786","0.2033","","","","","","1.083","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4337325","19.7023","0.0005","19.7023","0.0005","52.319","0.002","90","","90","","120","","17588.3","0.9","130","2","130","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C114 H165 N3 Ni12 O64.5 P4 -","- C114 H165 N3 Ni12 O64.5 P4 -","- C456 H660 N12 Ni48 O258 P16 -","4","0.333333","","Sheikh, Javeed Ahmad; Adhikary, Amit; Jena, Himanshu Sekhar; Biswas, Soumava; Konar, Sanjit","High Nuclearity (Octa-, Dodeca-, and Pentadecanuclear) Metal (M = Co(II), Ni(II)) Phosphonate Cages: Synthesis, Structure, and Magnetic Behavior.","Inorganic chemistry","2014","53","3","1606","1613","10.1021/ic402673v","","","0.71073","MoKα","","0.0869","0.0823","","","0.2082","0.2117","","","","","","1.213","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4339948","6.8415","0.0004","6.8415","0.0004","19.958","0.002","90","","90","","120","","809","0.11","293","2","293","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- La2 O18 Te6 W -","- La2 O18 Te6 W -","- La4 O36 Te12 W2 -","2","0.166667","","Jiang, Hai-Long; Ma, En; Mao, Jiang-Gao","New luminescent solids in the Ln-W(Mo)-Te-O-(Cl) systems.","Inorganic chemistry","2007","46","17","7012","7023","10.1021/ic700793n","","","0.71073","MoKα","","0.029","0.0255","","","0.0574","0.0592","","","","","","1.097","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4340635","25.048","0.005","25.048","0.005","22.985","0.005","90","0.005","90","0.005","120","0.005","12489","4","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C81 H120 Cl Dy3 N6 Ni3 O30.5 -","- C81 H120 Cl Dy3 N6 Ni3 O30.5 -","- C324 H480 Cl4 Dy12 N24 Ni12 O122 -","4","0.333333","","Goura, Joydeb; Guillaume, Rogez; Rivière, Eric; Chandrasekhar, Vadapalli","Hexanuclear, Heterometallic, Ni3Ln3 Complexes Possessing O-Capped Homo- and Heterometallic Structural Subunits: SMM Behavior of the Dysprosium Analogue.","Inorganic chemistry","2014","53","15","7815","","10.1021/ic403090z","","","0.71069","MoKα","","0.0588","0.0488","","","0.1385","0.1464","","","","","","1.081","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4340636","25.18","0.005","25.18","0.005","22.779","0.005","90","0.005","90","0.005","120","0.005","12508","5","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C81 H120 Cl N6 Ni3 O27.5 Tb3 -","- C81 H120 Cl N6 Ni3 O27.5 Tb3 -","- C324 H480 Cl4 N24 Ni12 O110 Tb12 -","4","0.333333","","Goura, Joydeb; Guillaume, Rogez; Rivière, Eric; Chandrasekhar, Vadapalli","Hexanuclear, Heterometallic, Ni3Ln3 Complexes Possessing O-Capped Homo- and Heterometallic Structural Subunits: SMM Behavior of the Dysprosium Analogue.","Inorganic chemistry","2014","53","15","7815","","10.1021/ic403090z","","","0.71069","MoKα","","0.0461","0.0364","","","0.0913","0.0954","","","","","","1.031","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4340637","25.212","0.005","25.212","0.005","22.745","0.005","90","0.005","90","0.005","120","0.005","12521","5","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C81 H120 Cl Gd3 N6 Ni3 O31.5 -","- C81 H120 Cl Gd3 N6 Ni3 O31.5 -","- C324 H480 Cl4 Gd12 N24 Ni12 O126 -","4","0.333333","","Goura, Joydeb; Guillaume, Rogez; Rivière, Eric; Chandrasekhar, Vadapalli","Hexanuclear, Heterometallic, Ni3Ln3 Complexes Possessing O-Capped Homo- and Heterometallic Structural Subunits: SMM Behavior of the Dysprosium Analogue.","Inorganic chemistry","2014","53","15","7815","","10.1021/ic403090z","","","0.71069","MoKα","","0.0511","0.0431","","","0.1154","0.1192","","","","","","1.033","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4340638","25.066","0.005","25.066","0.005","22.972","0.005","90","0.005","90","0.005","120","0.005","12500","4","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C81 H120 Cl Ho3 N6 Ni3 O30.5 -","- C81 H120 Cl Ho3 N6 Ni3 O30.5 -","- C324 H480 Cl4 Ho12 N24 Ni12 O122 -","4","0.333333","","Goura, Joydeb; Guillaume, Rogez; Rivière, Eric; Chandrasekhar, Vadapalli","Hexanuclear, Heterometallic, Ni3Ln3 Complexes Possessing O-Capped Homo- and Heterometallic Structural Subunits: SMM Behavior of the Dysprosium Analogue.","Inorganic chemistry","2014","53","15","7815","","10.1021/ic403090z","","","0.71069","MoKα","","0.0623","0.0527","","","0.143","0.1478","","","","","","1.012","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4340639","24.964","0.005","24.964","0.005","23.036","0.005","90","0.005","90","0.005","120","0.005","12433","4","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C81 H120 Cl Er3 N6 Ni3 O29 -","- C81 H120 Cl Er3 N6 Ni3 O29 -","- C324 H480 Cl4 Er12 N24 Ni12 O116 -","4","0.333333","","Goura, Joydeb; Guillaume, Rogez; Rivière, Eric; Chandrasekhar, Vadapalli","Hexanuclear, Heterometallic, Ni3Ln3 Complexes Possessing O-Capped Homo- and Heterometallic Structural Subunits: SMM Behavior of the Dysprosium Analogue.","Inorganic chemistry","2014","53","15","7815","","10.1021/ic403090z","","","0.71069","MoKα","","0.0715","0.058","","","0.1421","0.149","","","","","","1.049","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4341935","14.547","0.007","14.547","0.007","15.129","0.008","90","","90","","120","","2773","2","296","2","296","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C54 H54 Cl2 Cu3 N6 Ni O14 -","- C54 H54 Cl2 Cu3 N6 Ni O14 -","- C108 H108 Cl4 Cu6 N12 Ni2 O28 -","2","0.166667","","Mondal, Suraj; Mandal, Shuvankar; Carrella, Luca; Jana, Arpita; Fleck, Michel; Köhn, Andreas; Rentschler, Eva; Mohanta, Sasankasekhar","A Series of M(II)Cu(II)3 Stars (M = Mn, Ni, Cu, Zn) Exhibiting Unusual Magnetic Properties.","Inorganic chemistry","2015","54","1","117","131","10.1021/ic501900d","","","0.71073","MoKα","","0.0662","0.0437","","","0.1215","0.1437","","","","","","1.044","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4342261","13.809","","13.809","","30.004","","90","","90","","120","","4954.89","","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C36 H51 Cl Co5 N6 O18 P3 -","- C36 H51 Cl Co5 N6 O18 P3 -","- C144 H204 Cl4 Co20 N24 O72 P12 -","4","0.333333","","Ding, Qing-Rong; Li, Li-Ming; Zhang, Lei; Zhang, Jian","Multiarylpolycarboxylate-mediated hybrid cobalt phosphate frameworks with supramolecular zeolitic topology and unusual i(2)o(2) connectivity.","Inorganic chemistry","2015","54","4","1209","1211","10.1021/ic502895u","","","0.71073","MoKα","","0.0524","0.0486","","","0.1458","0.1498","","","","","","1.132","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342339","9.771","0.003","9.771","0.003","12.896","0.007","90","","90","","120","","1066.3","0.7","567","2","567","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Al F30 Na3 U6 -","- Al F30 Na3 U6 -","- Al2 F60 Na6 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Morrison, Gregory; Zur Loye, Hans-Conrad","Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na3MU6F30 (M = Al(3+), Ga(3+), Ti(3+), V(3+), Cr(3+), Fe(3+)): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties.","Inorganic chemistry","2015","54","4","2058","2066","10.1021/ic503034t","","","0.71073","MoKα","","0.0205","0.0188","","","0.0403","0.041","","","","","","1.217","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342340","9.8488","0.0001","9.8488","0.0001","12.9757","0.0003","90","","90","","120","","1090","0.03","294","2","294","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Ga Na3 U6 -","- F30 Ga Na3 U6 -","- F60 Ga2 Na6 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Morrison, Gregory; Zur Loye, Hans-Conrad","Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na3MU6F30 (M = Al(3+), Ga(3+), Ti(3+), V(3+), Cr(3+), Fe(3+)): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties.","Inorganic chemistry","2015","54","4","2058","2066","10.1021/ic503034t","","","0.71073","MoKα","","0.0212","0.0203","","","0.0518","0.0523","","","","","","1.192","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342341","9.8556","0.0003","9.8556","0.0003","12.9667","0.0008","90","","90","","120","","1090.75","0.08","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Na3 Ti U6 -","- F30 Na3 Ti U6 -","- F60 Na6 Ti2 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Morrison, Gregory; Zur Loye, Hans-Conrad","Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na3MU6F30 (M = Al(3+), Ga(3+), Ti(3+), V(3+), Cr(3+), Fe(3+)): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties.","Inorganic chemistry","2015","54","4","2058","2066","10.1021/ic503034t","","","0.71073","MoKα","","0.0335","0.0302","","","0.0703","0.0716","","","","","","1.201","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342342","9.8283","0.0004","9.8283","0.0004","12.9669","0.0011","90","","90","","120","","1084.73","0.11","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Na3 U6 V -","- F30 Na3 U6 V -","- F60 Na6 U12 V2 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Morrison, Gregory; Zur Loye, Hans-Conrad","Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na3MU6F30 (M = Al(3+), Ga(3+), Ti(3+), V(3+), Cr(3+), Fe(3+)): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties.","Inorganic chemistry","2015","54","4","2058","2066","10.1021/ic503034t","","","0.71073","MoKα","","0.033","0.0296","","","0.0663","0.0676","","","","","","1.212","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342343","9.8324","0.0006","9.8324","0.0006","12.9676","0.0014","90","","90","","120","","1085.7","0.15","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Cr F30 Na3 U6 -","- Cr F30 Na3 U6 -","- Cr2 F60 Na6 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Morrison, Gregory; Zur Loye, Hans-Conrad","Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na3MU6F30 (M = Al(3+), Ga(3+), Ti(3+), V(3+), Cr(3+), Fe(3+)): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties.","Inorganic chemistry","2015","54","4","2058","2066","10.1021/ic503034t","","","0.71073","MoKα","","0.0366","0.0298","","","0.0643","0.0666","","","","","","1.153","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342344","9.8351","0.0003","9.8351","0.0003","12.9869","0.001","90","","90","","120","","1087.91","0.1","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Fe Na3 U6 -","- F30 Fe Na3 U6 -","- F60 Fe2 Na6 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Morrison, Gregory; Zur Loye, Hans-Conrad","Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na3MU6F30 (M = Al(3+), Ga(3+), Ti(3+), V(3+), Cr(3+), Fe(3+)): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties.","Inorganic chemistry","2015","54","4","2058","2066","10.1021/ic503034t","","","0.71073","MoKα","","0.0415","0.0339","","","0.0708","0.0733","","","","","","1.131","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4343477","25.5897","0.0019","25.5897","0.0019","14.4432","0.0011","90","","90","","120","","8190.8","1.1","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C84 H84 Cl4 Cu4 N12 O26 -","- C84 H84 Cl4 Cu4 N12 O26 -","- C252 H252 Cl12 Cu12 N36 O78 -","3","0.25","","Wu, Xialu; Ding, Nini; Zhang, Wenhua; Xue, Fei; Hor, T. S. Andy","Spacer-Directed Selective Assembly of Copper Square or Hexagon and Ring-Stacks or Coordination Nanotubes.","Inorganic chemistry","2015","54","14","6680","6686","10.1021/ic502552y","","","0.71073","MoKα","","0.0659","0.0589","","","0.178","0.1843","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344010","12.9293","0.0004","12.9293","0.0004","16.308","0.0006","90","","90","","120","","2360.92","0.13","122","1","122","1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C27 H27 N4 O3 Yb -","- C27 H27 N4 O3 Yb -","- C108 H108 N16 O12 Yb4 -","4","0.333333","","Pedersen, Kasper S.; Dreiser, Jan; Weihe, Høgni; Sibille, Romain; Johannesen, Heini V.; Sørensen, Mikkel A; Nielsen, Bjarne E.; Sigrist, Marc; Mutka, Hannu; Rols, Stephane; Bendix, Jesper; Piligkos, Stergios","Design of Single-Molecule Magnets: Insufficiency of the Anisotropy Barrier as the Sole Criterion.","Inorganic chemistry","2015","54","15","7600","7606","10.1021/acs.inorgchem.5b01209","","","0.71073","MoKα","","0.0441","0.026","","","0.0684","0.0787","","","","","","1.0402","","","","has coordinates","301840","2025-08-20","23:44:57",""
"4347651","18.4026","0.0004","18.4026","0.0004","24.6441","0.0009","90","","90","","120","","7227.7","0.3","113","","113","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C53 H66 N4 O Zn -","- C54 H66 N4 O2 Zn -","- C324 H396 N24 O12 Zn6 -","6","0.5","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.7107","MoKα","","","0.0448","","","","0.1272","","","","","","1.08","","","","has coordinates","232422","2020-10-21","18:00:00",""
"4348251","12.545","0.003","12.545","0.003","32.893","0.016","90","","90","","120","","4483","3","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C54 H72 Br6 Cl3 Co3 N36 O11 -","- C54 H72 Br6 Cl3.00002 Co3 N36 O11 -","- C108 H144 Br12 Cl6.00004 Co6 N72 O22 -","2","0.166667","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.0741","0.0741","","","","0.2283","","","","","","1.084","","","","has coordinates","232846","2020-10-21","18:00:00",""
"4350384","15.018","0.004","15.018","0.004","19.752","0.007","90","","90","","120","","3858","2","217","2","217","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","Complex 8 (Seebacher), Tt(Tol)Zn-OH","","","- C11 H9.33 B0.33 N2 O1.33 S Zn0.33 -","- C11 H9.33333 B0.333333 N2 O1.33333 S Zn0.333333 -","- C132 H112 B4 N24 O16 S12 Zn4 -","12","1","","Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich","Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.","Inorganic chemistry","2006","45","18","7493","7502","10.1021/ic060752f","","","0.71073","MoKα","","0.1969","0.0901","","","0.2434","0.2998","","","","","","0.953","","","","has coordinates","239866","2020-10-21","18:00:00",""
"4350493","19.501","0.004","19.501","0.004","19.687","0.004","90","","90","","120","","6484","2","173.2","","","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C49.5 H65 B Cl10 Mn N6 S3 -","- C49.5 H64 B Cl10 Mn N6 S3 -","- C198 H256 B4 Cl40 Mn4 N24 S12 -","4","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.067","","","","0.0959","","","","","","1.306","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350499","19.5212","0.0004","19.5212","0.0004","19.4927","0.0004","90","","90","","120","","6433","0.2","293.2","","","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C49.5 H65 B Cl10 Co N6 S3 -","- C49.5 H64 B Cl10 Co N6 S3 -","- C198 H256 B4 Cl40 Co4 N24 S12 -","4","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0683","","","","0.0907","","","","","","1.885","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350503","19.522","0.0005","19.522","0.0005","19.6676","0.0003","90","","90","","120","","6491.3","0.3","273.2","","","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C49.5 H65 B Cl10 N6 Ni S3 -","- C49.5 H64 B Cl10 N6 Ni S3 -","- C198 H256 B4 Cl40 N24 Ni4 S12 -","4","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0623","","","","0.0862","","","","","","4.312","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350508","19.5001","0.0005","19.5001","0.0005","20.0779","0.0008","90","","90","","120","","6611.8","0.4","173.1","","","","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C49.5 H65 B Cl9 Co I N6 S3 -","- C49.5 H64 B Cl9 Co I N6 S3 -","- C198 H256 B4 Cl36 Co4 I4 N24 S12 -","4","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0635","","","","0.098","","","","","","1.797","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350603","23.338","0.003","23.338","0.003","15.406","0.004","90","","90","","120","","7267","2","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Ga(C~18~H~17~N~2~)~3~^.^CDCl~3~","","","- C55 H52 Cl3 Ga N6 -","- C55 H52 Cl3 Ga N6 -","- C330 H312 Cl18 Ga6 N36 -","6","0.5","","Thoi, Van S.; Stork, Jay R.; Magde, Douglas; Cohen, Seth M.","Luminescent dipyrrinato complexes of trivalent group 13 metal ions.","Inorganic chemistry","2006","45","26","10688","10697","10.1021/ic061581h","","","0.71073","MoKα","","0.0532","0.0448","","","0.1089","0.1152","","","","","","1.046","","","","has coordinates,has disorder","239958","2020-10-21","18:00:00",""
"4350604","23.7036","0.0012","23.7036","0.0012","14.7117","0.0015","90","","90","","120","","7158.5","0.9","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","In(5-Mesdpm)~3~","","","- C55 H52.5 In N6.5 -","- C55 H52.5 In N6.5 -","- C330 H315 In6 N39 -","6","0.5","","Thoi, Van S.; Stork, Jay R.; Magde, Douglas; Cohen, Seth M.","Luminescent dipyrrinato complexes of trivalent group 13 metal ions.","Inorganic chemistry","2006","45","26","10688","10697","10.1021/ic061581h","","","0.71073","MoKα","","0.0798","0.0411","","","0.0933","0.1099","","","","","","1.033","","","","has coordinates,has disorder","239958","2020-10-21","18:00:00",""
"4501947","14.6142","0.0003","14.6142","0.0003","18.4967","0.0009","90","","90","","120","","3421.17","0.19","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C75 H72 Ag2 Cl2 N12 O8 -","- C75 H72 Ag2 Cl1.98 N12 O7.98 -","- C150 H144 Ag4 Cl3.96 N24 O15.96 -","2","0.166667","","Zhang, Qian; Zhang, Jianyong; Yu, Qiong-Yan; Pan, Mei; Su, Cheng-Yong","Ring-Opening Isomerization Based on the 3-Connecting Node: Formation of a 0-D M2L3Cage, 1-D Loop-and-Chain, and 2-D (6, 3) Network","Crystal Growth & Design","2010","10","9","4076","","10.1021/cg100742c","","","0.71073","MoKα","","0.0482","0.045","","","0.113","0.1154","","","","","","1.091","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4502465","9.9085","0.001","9.9085","0.001","33.643","0.007","90","","90","","120","","2860.5","0.7","571","2","571","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C54 H52 F12 N18 O2 P2 Zn -","- C54 H51.8 F12 N18 O2 P2 Zn -","- C108 H103.6 F24 N36 O4 P4 Zn2 -","2","0.166667","","Ni, Tianjun; Shao, Min; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Lotus-Root-like One-Dimensional Polymetallocages with Drastic Void Adaptability Constructed from 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl and Zn(II) or Co(II) and Their Fluorescein Encapsulation Properties","Crystal Growth & Design","2010","10","2","943","","10.1021/cg901264e","","","0.71073","MoKα","","0.05","0.0433","","","0.1218","0.1282","","","","","","1.072","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502466","11.0615","0.0008","11.0615","0.0008","31.618","0.004","90","","90","","120","","3350.4","0.5","296","2","296","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C54 H52 Co F12 N18 O2 P2 -","- C54 H51.98 Co F12 N18 O2 P2 -","- C108 H103.96 Co2 F24 N36 O4 P4 -","2","0.166667","","Ni, Tianjun; Shao, Min; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Lotus-Root-like One-Dimensional Polymetallocages with Drastic Void Adaptability Constructed from 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl and Zn(II) or Co(II) and Their Fluorescein Encapsulation Properties","Crystal Growth & Design","2010","10","2","943","","10.1021/cg901264e","","","0.71073","MoKα","","0.0932","0.0765","","","0.1922","0.2066","","","","","","0.936","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502507","33.3586","0.0018","33.3586","0.0018","67.839","0.005","90","","90","","120","","65377","7","113","2","113","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C1548 H2396 O756 S234 Zn98 -","- C1188 H864 O372 S54 Zn98 -","- C1188 H864 O372 S54 Zn98 -","1","0.0833333","","Yue, Qi; Sun, Qian; Cheng, Ai-Ling; Gao, En-Qing","Metal−Organic Framework Based on [Zn4O(COO)6] Clusters: Rare 3D Kagomé Topology and Luminescence","Crystal Growth & Design","2010","10","1","44","","10.1021/cg901312t","","","0.71073","MoKα","","0.1966","0.1195","","","0.3079","0.3652","","","","","","1.006","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4503362","11.3771","0.0006","11.3771","0.0006","23.847","0.002","90","","90","","120","","2673.2","0.3","130","2","130","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- Co5 Cu2 H70 Na4 O59 S8 -","- Co5 Cu2 H48 Na4 O59.258 S8 -","- Co10 Cu4 H96 Na8 O118.516 S16 -","2","0.166667","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","Cu(SO3)47-: A Readily Accessible Building Block for New Coordination Polymers","Crystal Growth & Design","2008","8","4","1288","","10.1021/cg7010259","","","0.71073","MoKα","","0.0586","0.0487","","","0.1152","0.1201","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503363","11.3081","0.0006","11.3081","0.0006","23.591","0.002","90","","90","","120","","2612.5","0.3","130","2","130","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- Cu2 H70 Na4 Ni5 O59 S8 -","- Cu2 H48 Na4 Ni5 O59.351 S8 -","- Cu4 H96 Na8 Ni10 O118.702 S16 -","2","0.166667","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","Cu(SO3)47-: A Readily Accessible Building Block for New Coordination Polymers","Crystal Growth & Design","2008","8","4","1288","","10.1021/cg7010259","","","0.71073","MoKα","","0.0493","0.0417","","","0.109","0.1146","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503389","11.0142","0.0018","11.0142","0.0018","15.438","0.003","90","","90","","120","","1621.9","0.5","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C21 H30 Cl2 Fe N18 O8 -","- C21 H30 Cl2 Fe N18 O8 -","- C42 H60 Cl4 Fe2 N36 O16 -","2","0.166667","","Gu, Zhi-Guo; Xu, Yi-Fan; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Assembly of Iron(II)-Triazole Polymers from 1D Chains to 3D Interpenetrated Frameworks: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2008","8","4","1306","","10.1021/cg7010666","","","0.71073","MoKα","","0.0813","0.0663","","","0.1549","0.1648","","","","","","1.144","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503390","10.9716","0.0015","10.9716","0.0015","15.291","0.003","90","","90","","120","","1594.1","0.4","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C21 H30 B2 F8 Fe N18 -","- C21 H30 B2 F8 Fe N18 -","- C42 H60 B4 F16 Fe2 N36 -","2","0.166667","","Gu, Zhi-Guo; Xu, Yi-Fan; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Assembly of Iron(II)-Triazole Polymers from 1D Chains to 3D Interpenetrated Frameworks: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2008","8","4","1306","","10.1021/cg7010666","","","0.71073","MoKα","","0.0665","0.0482","","","0.1199","0.1266","","","","","","1.005","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503675","13.6663","0.0009","13.6663","0.0009","13.009","0.0016","90","","90","","120","","2104.1","0.3","298","2","298","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C12 H20 N54 O8 Zn7 -","- C12 H6 N54 O8 Zn7 -","- C24 H12 N108 O16 Zn14 -","2","0.166667","","Jiang, Tao; Zhang, Xian-Ming","Temperature Tuned Synthesis of ZincN,N-bis-(1(2)H-tetrazol-5-yl)-amine Complexes: From Zn3O Cluster-Based 3-Connected 63-hcband (3,6)-Connected (43)2(46)-kgdLayers to Zn5(OH)4Chain-Based 3D Open Framework","Crystal Growth & Design","2008","8","8","3077","","10.1021/cg800248b","","","0.71073","MoKα","","0.0686","0.0591","","","0.1376","0.1435","","","","","","1.17","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4506434","10.6804","0.0003","10.6804","0.0003","16.5274","0.0005","90","","90","","120","","1632.71","0.08","225","2","225","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 Ni P2 -","- C30 H24 F12 N6 Ni P2 -","- C60 H48 F24 N12 Ni2 P4 -","2","0.166667","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.054","0.0362","","","0.0815","0.0845","","","","","","1.011","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4506435","10.7046","0.0002","10.7046","0.0002","16.3796","0.0004","90","","90","","120","","1625.45","0.06","225","2","225","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 P2 Ru -","- C30 H24 F12 N6 P2 Ru -","- C60 H48 F24 N12 P4 Ru2 -","2","0.166667","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0348","0.0268","","","0.068","0.0703","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4506436","10.68488","0.00017","10.68488","0.00017","16.4633","0.0003","90","","90","","120","","1627.75","0.05","225","2","225","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 Ni0.65 P2 Ru0.35 -","- C30 H24 F12 N6 Ni0.65 P2 Ru0.35 -","- C60 H48 F24 N12 Ni1.3 P4 Ru0.7 -","2","0.166667","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0372","0.0313","","","0.0754","0.0771","","","","","","1.029","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4507229","27.597","0.004","27.597","0.004","21.871","0.004","90","","90","","120","","14425","4","293","2","293","2","","","100","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C42 H34 Cu2 N4 O10 -","- C42 H34 Cu2 N4 O10 -","- C252 H204 Cu12 N24 O60 -","6","0.5","","Nickerl, Georg; Notzon, Andreas; Heitbaum, Maja; Senkovska, Irena; Glorius, Frank; Kaskel, Stefan","Selective Adsorption Properties of Cationic Metal‒Organic Frameworks Based on Imidazolic Linker","Crystal Growth & Design","2013","13","1","198","","10.1021/cg301347t","","x-ray","0.88561","synchrotron","","0.0642","0.0594","","","0.1818","0.1882","","","","","","1.088","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4509169","15.6887","0.0003","15.6887","0.0003","22.2702","0.0008","90","","90","","120","","4747.1","0.2","150","","150","","","","","","","","CMs8","6","P -3 c 1","-P 3 2""c","165","","","","- C42 H42 Cl Mn3 N6 O14 -","- C39 H30 Cl Mn3 N6 O11 -","- C156 H120 Cl4 Mn12 N24 O44 -","4","0.333333","","Stoumpos, Constantinos C.; Inglis, Ross; Karotsis, Georgios; Jones, Leigh F.; Collins, Anna; Parsons, Simon; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Supramolecular Entanglement from Interlocked Molecular Nanomagnets","Crystal Growth & Design","2009","9","1","24","","10.1021/cg800947z","","","0.71073","MoKα","","0.1095","0.0666","","0.1807","0.137","0.1807","","","","","","0.7718","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511482","13.044","0.0019","13.044","0.0019","18.275","0.004","90","","90","","120","","2692.8","0.8","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C11 H10 Ag F3 N4 O3 S3 -","- C11 H10 Ag F3 N4 O3 S3 -","- C66 H60 Ag6 F18 N24 O18 S18 -","6","0.5","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Zhao, Xia-Xia; Shen, Da-Zhong; Huang, Ru-Qi","Ag(I) Complexes Generated from Double Schiff-Base Ligand with Thiazole as the Terminal Binding Sites","Crystal Growth & Design","2006","6","11","2475","","10.1021/cg060158g","","","0.71073","MoKα","","0.0701","0.0519","","","0.1432","0.1528","","","","","","1.09","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4512142","18.304","0.002","18.304","0.002","22.502","0.006","90","","90","","120","","6529","2","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C22 H25.33 Cu N1.33 O5.33 -","- C22.0033 H25.31 Cu N1.33 O5.33 -","- C264.04 H303.72 Cu12 N15.96 O63.96 -","12","1","","Yakovenko, Andrey A.; Wei, Zhangwen; Wriedt, Mario; Li, Jian-Rong; Halder, Gregory J.; Zhou, Hong-Cai","Study of Guest Molecules in Metal‒Organic Frameworks by Powder X-ray Diffraction: Analysis of Difference Envelope Density","Crystal Growth & Design","2014","14","11","5397","","10.1021/cg500525g","","","0.71073","MoKα","","0.1299","0.085","","","0.1742","0.1975","","","","","","1.024","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4515955","14.3849","0.0018","14.3849","0.0018","22.169","0.004","90","","90","","120","","3972.7","1","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C36 H57 N O3 Si5 -","- C36 H57 N O3 Si5 -","- C144 H228 N4 O12 Si20 -","4","0.333333","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0611","0.0599","","","0.1355","0.1361","","","","","","1.261","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516661","15.5297","0.0005","15.5297","0.0005","24.1564","0.0011","90","","90","","120","","5045.3","0.3","150","","150","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C55 H40 Cl3 O3 P3 Si3 -","- C55 H40 Cl3 O3 P3 Si3 -","- C220 H160 Cl12 O12 P12 Si12 -","4","0.333333","","Iwai, Tomohiro; Konishi, Shota; Miyazaki, Tatsuya; Kawamorita, Soichiro; Yokokawa, Natsumi; Ohmiya, Hirohisa; Sawamura, Masaya","Silica-Supported Triptycene-Type Phosphine. Synthesis, Characterization, and Application to Pd-Catalyzed Suzuki‒Miyaura Cross-Coupling of Chloroarenes","ACS Catalysis","2015","5","12","7254","","10.1021/acscatal.5b00904","","","0.71075","MoKα","","","0.0461","","","","0.1077","","","","","","1.139","","","","has coordinates","239438","2020-10-21","18:00:00",""
"4519071","18.3668","0.0011","18.3668","0.0011","49.803","0.003","90","","90","","120","","14549.7","1.5","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C31 H23 Cu2 N3 O13 P2 -","- C31 H23 Cu2 N3 O13 P2 -","- C372 H276 Cu24 N36 O156 P24 -","12","1","","Han, Jing-Hua; Hu, Bing-Qian; Li, Tangming; Liang, Hao; Yu, Fan; Zhao, Qiang; Li, Bao","Synthesis, Structures, and Sorption Properties of Two New Metal-Organic Frameworks Constructed by the Polycarboxylate Ligand Derived from Cyclotriphosphazene.","ACS omega","2021","6","36","23110","23116","10.1021/acsomega.1c02492","","","0.71073","MoKα","","0.1819","0.1062","","","0.2921","0.3301","","","","","","0.974","","","","has coordinates","269493","2021-10-03","20:32:06",""
"5000151","12.6077","0.0004","12.6077","0.0004","10.1147","0.0015","90","","90","","120","","1392.37","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C6 H4.339 N3 O8.669 -","- C10 H5 N5 O16.6667 -","- C60 H30 N30 O100 -","6","0.5","","Pierce-Butler, M.","Structures of 2,4,6-trinitro-1.3-benzenediol 2/3-hydrate and 2,4,6-trinitro-1,3,5-benzenetriol 2/3-hydrate","Acta Crystallographica Section B","1982","38","12","3097","3100","10.1107/S0567740882010954","","","","","","","","","","","","","","","","","","","","","has coordinates","175351","2020-10-21","18:00:00",""
"6000617","5.3776","","5.3776","","34.04","","90","","90","","120","","852.51","","","","","","","","","","","","","3","P -3 c 1","","","","","","- Mn11 O21 Ta4 -","","","","","","Grins, J.; Tyutyunnik, A.","Structure and magnetic susceptibility of Mn11Ta4O21 and refinement of the Mn4Ta2O9 structure","Journal of Solid State Chemistry","1998","137","","276","282","10.1006/jssc.1997.7733","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000618","5.3306","","5.3306","","14.336","","90","","90","","120","","352.79","","","","","","","","","","","","","3","P -3 c 1","","","","","","- Mn4 O9 Ta2 -","","","","","","Grins, J.; Tyutyunnik, A.","Structure and magnetic susceptibility of Mn11Ta4O21 and refinement of the Mn4Ta2O9 structure","Journal of Solid State Chemistry","1998","137","","276","282","10.1006/jssc.1997.7733","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000653","10.55","","10.55","","23.14","","90","","90","","120","","2230.48","","","","","","","","","","","","","6","P -3 c 1","","","","","","- F13 H6 Mn5 Na7 O15 P3 -","","","","","","Stief, R.; Frommen, C.; Pebler, J.; Massa, W.","A fluoride phosphate of manganese(III) with unusual layer structure: Na-7[Mn5F13(PO4)(3)(H2O)(3)]","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1998","624","3","461","468","10.1002/(SICI)1521-3749(199803)624:3<461::AID-ZAAC461>3.0.CO;2-A","","","","","","","","","","","","","","","","","","","","","","188700","2020-10-21","18:00:00",""
"6000654","10.525","","10.525","","23.042","","90","","90","","120","","2210.52","","","","150","","","","","","","","","6","P -3 c 1","","","","","","- F13 H6 Mn5 Na7 O15 P3 -","","","","","","Stief, R.; Frommen, C.; Pebler, J.; Massa, W.","A fluoride phosphate of manganese(III) with unusual layer structure: Na-7[Mn5F13(PO4)(3)(H2O)(3)]","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1998","624","3","461","468","10.1002/(SICI)1521-3749(199803)624:3<461::AID-ZAAC461>3.0.CO;2-A","","","","","","","","","","","","","","","","","","","","","","188700","2020-10-21","18:00:00",""
"7002490","13.989","0.002","13.989","0.002","16.395","0.003","90","","90","","120","","2778.5","0.8","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C27.5 H27.75 Cu I N6.25 -","- C27.5 H27 Cu I N6.25 -","- C110 H108 Cu4 I4 N25 -","4","0.333333","","Li, Ling-Ling; Li, Hong-Xi; Ren, Zhi-Gang; Liu, Dong; Chen, Yang; Zhang, Yong; Lang, Jian-Ping","Assembly of [CunIn]-based coordination polymers from cracking the 3D framework of bulk CuI via flexible N-heterocyclic ligands","Dalton Transactions","2009","","40","8567","8573","10.1039/b908697h","","","0.71073","MoKα","","0.1098","0.0908","","","0.1743","0.1852","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7002645","13.3429","0.0002","13.3429","0.0002","29.0999","0.0008","90","","90","","120","","4486.65","0.16","150","","150","","","","","","","","Ross Inglis, RI1351","6","P -3 c 1","-P 3 2""c","165","","","","- C45 H48 Cl Mn3 N6 O11 -","- C45 H48 Cl Mn3 N6 O11 -","- C180 H192 Cl4 Mn12 N24 O44 -","4","0.333333","","Inglis, Ross; Taylor, Stephanie M.; Jones, Leigh F.; Papaefstathiou, Giannis S.; Perlepes, Spyros P.; Datta, Saiti; Hill, Stephen; Wernsdorfer, Wolfgang; Brechin, Euan K.","Twisting, bending, stretching: strategies for making ferromagnetic [MnIII3] triangles","Dalton Transactions","2009","","42","9157","","10.1039/b911820a","","","0.71073","MoKα","","0.0575","0.0418","","0.1039","0.0927","0.1039","","","","","","0.9627","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7003789","22.912","0.002","22.912","0.002","22.757","0.003","90","","90","","120","","10346","1.9","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C69 H85 N6 Na6 O42.5 S Zn6 -","- C69 H84.996 N6 Na6 O42.503 S Zn6 -","- C276 H339.984 N24 Na24 O170.012 S4 Zn24 -","4","0.333333","","Curtiss, Ashley B. S.; Bera, Manindranath; Musie, Ghezai T.; Powell, Douglas R.","Synthesis and characterization of mono- and μ6-sulfato hexanuclear zinc complexes of a new symmetric dinucleating ligand","Dalton Transactions","2008","","20","2717","2724","10.1039/b719646f","","","0.71073","MoKα","","0.1346","0.1055","","","0.2979","0.3391","","","","","","1.074","","","","has coordinates,has disorder","179741","2020-10-21","18:00:00",""
"7004269","14.289","0.003","14.289","0.003","13.738","0.004","90","","90","","120","","2429.2","1","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C12 H32 Mn7 N54 O14 -","- C12 H32 Mn7 N54 O14 -","- C24 H64 Mn14 N108 O28 -","2","0.166667","","Liu, Na; Yue, Qi; Wang, Yan-Qin; Cheng, Ai-Ling; Gao, En-Qing","Coordination compounds of bis(5-tetrazolyl)amine with manganese(ii), zinc(ii) and cadmium(ii): synthesis, structure and magnetic properties","Dalton Transactions","2008","","34","4621","","10.1039/b804996c","","","0.71073","MoKα","","0.0575","0.0307","","","0.0417","0.0441","","","","","","0.807","","","","has coordinates","179746","2020-10-21","18:00:00",""
"7004270","14.613","0.0003","14.613","0.0003","13.608","0.0004","90","","90","","120","","2516.54","0.1","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C12 H32 Cd7 N54 O14 -","- C12 H32 Cd7 N54 O14 -","- C24 H64 Cd14 N108 O28 -","2","0.166667","","Liu, Na; Yue, Qi; Wang, Yan-Qin; Cheng, Ai-Ling; Gao, En-Qing","Coordination compounds of bis(5-tetrazolyl)amine with manganese(ii), zinc(ii) and cadmium(ii): synthesis, structure and magnetic properties","Dalton Transactions","2008","","34","4621","","10.1039/b804996c","","","0.71073","MoKα","","0.0514","0.0249","","","0.0412","0.0447","","","","","","0.841","","","","has coordinates","179746","2020-10-21","18:00:00",""
"7004271","14.355","0.003","14.355","0.003","13.705","0.005","90","","90","","120","","2445.8","1.1","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C12 H30 F2 Mn7 N54 O12 -","- C12 H30 F2 Mn7 N54 O12 -","- C24 H60 F4 Mn14 N108 O24 -","2","0.166667","","Liu, Na; Yue, Qi; Wang, Yan-Qin; Cheng, Ai-Ling; Gao, En-Qing","Coordination compounds of bis(5-tetrazolyl)amine with manganese(ii), zinc(ii) and cadmium(ii): synthesis, structure and magnetic properties","Dalton Transactions","2008","","34","4621","","10.1039/b804996c","","","0.71073","MoKα","","0.0301","0.0277","","","0.0656","0.0669","","","","","","1.091","","","","has coordinates","179746","2020-10-21","18:00:00",""
"7004961","17.6535","0.0003","17.6535","0.0003","25.9914","0.0004","90","","90","","120","","7014.9","0.2","100","2","100","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C75 H123 Ga3 -","- C75 H123 Ga3 -","- C300 H492 Ga12 -","4","0.333333","","Uhl, Werner; Claesener, Michael; Haddadpour, Sima; Jasper, Beate; Hepp, Alexander","The reactions of dialkylgallium hydrides with tert-butylethynylbenzenes‒a systematic investigation into the course of hydrogallation reactions.","Dalton transactions (Cambridge, England : 2003)","2007","","4","417","423","10.1039/b614003c","","","1.54178","CuKα","","0.0613","0.0424","","","0.1039","0.1088","","","","","","0.858","","","","has coordinates","179753","2020-10-21","18:00:00",""
"7005550","10.203","0.003","10.203","0.003","17.908","0.004","90","","90","","120","","1614.5","0.8","200","2","200","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C18 H30 Cl2 O23 Yb -","- C18 H30 Cl2 O23 Yb -","- C36 H60 Cl4 O46 Yb2 -","2","0.166667","","Starynowicz, Przemysław","An ytterbium(II) complex with dimethyl ester of oxydiacetic acid.","Dalton transactions (Cambridge, England : 2003)","2007","","26","2779","2783","10.1039/b702971c","","","0.71073","MoKα","","0.219","0.04","","","0.0776","0.101","","","","","","0.901","","","","has coordinates","301846","2025-08-21","10:44:13",""
"7008075","10.881","0.003","10.881","0.003","15.66","0.008","90","","90","","120","","1605.7","1","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H36 Ag2 Cl2 O8 S6 -","- C15 H36 Ag2 Cl2 O8 S6 -","- C30 H72 Ag4 Cl4 O16 S12 -","2","0.166667","","Li, Jian-Rong; Bu, Xian-He; Jiao, Jiao; Du, Wen-Ping; Xu, Xiu-Hua; Zhang, Ruo-Hua","Novel dithioether-silver(I) coordination architectures: structural diversities by varying the spacers and terminal groups of ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","3","464","474","10.1039/b416576b","","","0.71073","MoKα","","0.0568","0.0355","","","0.086","0.0962","","","","","","1.014","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7009741","14.993","0.003","14.993","0.003","18.45","0.003","90","","90","","120","","3591.7","1.2","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H106 Fe2 N30 Ni3 O14 -","- C48 H90 Fe2 N30 Ni3 O14 -","- C96 H180 Fe4 N60 Ni6 O28 -","2","0.166667","","Kou, Hui-Zhong; Bu, Wei-Ming; Gao, Song; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Fan, Yu-Guo; Wang, Geng-Lin","Reactions between macrocyclic nickel(II) complexes and ferricyanide. Metamagnetic properties of a two-dimensional honeycomb assembly [NiL3]3[Fe(CN)6]2·8H2O (L3 = 3,10-dihydroxyethyl-1,3,6,8,10,12-hexaazacyclotetradecane) †","Journal of the Chemical Society, Dalton Transactions","2000","","17","2996","","10.1039/b003289l","","","0.71073","MoKα","","0.0509","0.0456","","0.0721","0.0652","","","","1.169","1.455","1.455","","","","","has coordinates","179801","2020-10-21","18:00:00",""
"7009788","12.72","0.0014","12.72","0.0014","22.033","0.002","90","","90","","120","","3087.3","0.6","153","","153","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C30.5 H31.5 B Cl1.5 Cu N6 P -","- C30.5 H31.5 B Cl1.50001 Cu N6 P -","- C122 H126 B4 Cl6.00002 Cu4 N24 P4 -","4","0.333333","","Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; Somers, Neil; White, Allan H.","Synthesis, spectroscopic characterization, and structural systematics of new triorganophosphinecopper(I) poly(pyrazol-1-yl)borate complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","19","3416","","10.1039/b003613g","","","0.71073","MoKα","","0.085","0.062","","0.078","","0.074","","","1.534","","","1.683","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017767","27.5796","0.0004","27.5796","0.0004","15.5052","0.0003","90","","90","","120","","10213.7","0.3","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C35.25 H30.5 B0.33 Co F1.33 N5.25 O -","- C35.25 H30.5 B0.333333 Co F1.33333 N5.25 O -","- C423 H366 B4 Co12 F16 N63 O12 -","12","1","","Devoille, Aline M. J.; Love, Jason B.","Double-pillared cobalt Pacman complexes: synthesis, structures and oxygen reduction catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","65","72","10.1039/c1dt11424g","","","1.54184","CuKα","","0.0844","0.0583","","","0.163","0.1795","","","","","","0.749","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018548","21.494","0.005","21.494","0.005","10.38","0.005","90","","90","","120","","4153","2","298","2","298","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C26 H28 F6 Ir N4 O0.67 P -","- C25.9867 H24 F6 Ir N4 O0.666667 P -","- C155.92 H144 F36 Ir6 N24 O4 P6 -","6","0.5","","Talarico, Anna Maria; Szerb, Elisabeta Ildyko; Mastropietro, Teresa F.; Aiello, Iolinda; Crispini, Alessandra; Ghedini, Mauro","Tuning solid state luminescent properties in a hydrogen bonding-directed supramolecular assembly of bis-cyclometalated iridium(iii) ethylenediamine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4919","4926","10.1039/c2dt12108e","","","0.71073","MoKα","","0.0514","0.0321","","","0.0594","0.0662","","","","","","1.014","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018562","23.5252","0.0004","23.5252","0.0004","17.8727","0.0007","90","","90","","120","","8566.2","0.4","150","2","150","2","","","","","","","","9","P -3 c 1","-P 3 2""c","165","","","","- C43 H43 Ag B F4 Fe N6 O10 S2 -","- C43 H39 Ag B F4 Fe N6 O10 S2 -","- C258 H234 Ag6 B6 F24 Fe6 N36 O60 S12 -","6","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.6907","Synchrotron","","0.0569","0.0495","","","0.1452","0.1502","","","","","","1.067","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018847","14.11","0.002","14.11","0.002","22.77","0.005","90","","90","","120","","3926","1.2","150","2","123","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","(Co7(OH)6(L)6)(NO3)2","","","- C54 H66 Co7 N8 O24 -","- C54 H66 Co7 N8 O24 -","- C108 H132 Co14 N16 O48 -","2","0.166667","","Meally, Seán T; McDonald, Cecelia; Kealy, Patrick; Taylor, Stephanie M.; Brechin, Euan K.; Jones, Leigh F.","Investigating the solid state hosting abilities of homo- and hetero-valent [Co(7)] metallocalix[6]arenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5610","5616","10.1039/c2dt12229d","","","0.7107","MoKα","","0.1057","0.0851","","","0.2671","0.2796","","","","","","1.211","","","","has coordinates","301847","2025-08-21","11:39:38",""
"7018848","14.041","0.002","14.041","0.002","23.036","0.005","90","","90","","120","","3933.1","1.2","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","(Co7(OH)6(immp)6)(NO3)2.2MeOH","","","- C56 H66 Co7 N8 O26 -","- C56.01 H66 Co7 N8 O25.98 -","- C112.02 H132 Co14 N16 O51.96 -","2","0.166667","","Meally, Seán T; McDonald, Cecelia; Kealy, Patrick; Taylor, Stephanie M.; Brechin, Euan K.; Jones, Leigh F.","Investigating the solid state hosting abilities of homo- and hetero-valent [Co(7)] metallocalix[6]arenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5610","5616","10.1039/c2dt12229d","","","0.7107","MoKα","","0.0732","0.0695","","","0.2179","0.2221","","","","","","1.194","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7020651","13.7551","0.001","13.7551","0.001","25.562","0.004","90","","90","","120","","4188.4","0.8","110","2","110","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C28 H28 B Cl15 F N3 O S -","- C28.02 H28.056 B0.9999 Cl15 F0.9999 N3.006 O1.002 S1.002 -","- C112.08 H112.224 B3.9996 Cl60 F3.9996 N12.024 O4.008 S4.008 -","4","0.333333","","Zhao, Haiyan; Reibenspies, Joseph H.; Gabbaï, François P","Lewis acidic behavior of B(C6Cl5)3.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","608","610","10.1039/c2dt31482g","","","0.71073","MoKα","","0.1188","0.0945","","","0.247","0.2823","","","","","","1.04","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020931","21.7696","0.0013","21.7696","0.0013","8.7212","0.0007","90","","90","","120","","3579.4","0.4","122.3","0.2","122.3","0.2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C10 H9.6 Cu O5.8 -","- C10 H8 Cu O5 -","- C120 H96 Cu12 O60 -","12","1","","Shen, Bo; Shi, Peng-Fei; Hou, Yin-Ling; Wan, Fan-Fan; Gao, Dong-Liang; Zhao, Bin","Structural diversity and magnetic properties of five copper‒organic frameworks containing one-, two-, and three-types of organic ligands","Dalton Transactions","2013","42","10","3455","","10.1039/c2dt32515b","","","0.7107","MoKα","","0.0716","0.0488","","","0.0979","0.1057","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022356","17.3867","0.0004","17.3867","0.0004","11.3455","0.0008","90","","90","","120","","2970.2","0.2","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C42 H24 Cd2 N3 O20 P3 -","- C42 H24 Cd2 N3.15 O20 P2.85 -","- C84 H48 Cd4 N6.3 O40 P5.7 -","2","0.166667","","Li, Bao; Dai, Xiaomei; Meng, Xianggao; Zhang, Tianle; Liu, Chengmei; Yu, Kaichao","Temperature-controlled synthesis and luminescent properties of two novel coordination polymers modeled by hexa-carboxylate ligand derived from cyclotriphosphazene.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2588","2593","10.1039/c2dt32431h","","","0.71073","MoKα","","0.1204","0.08","","","0.2596","0.2932","","","","","","0.975","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7023691","11.219","0.0002","11.219","0.0002","38.592","0.0004","90","","90","","120","","4206.65","0.11","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C66 H90 I6 N14 O6 Zn3 -","- C66 H90 I6 N14 O6 Zn3 -","- C132 H180 I12 N28 O12 Zn6 -","2","0.166667","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14826","14835","10.1039/c3dt51791h","","","0.71073","MoKα","","0.0556","0.0456","","","0.1154","0.1231","","","","","","1.11","","","","has coordinates","301848","2025-08-21","12:23:42",""
"7025153","21.2691","0.0006","21.2691","0.0006","10.2551","0.0005","90","","90","","120","","4017.6","0.3","298","2","298","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C26 H28 Cl Ir N4 O4.67 -","- C25.9867 H27.96 Cl Ir N4 O4.66667 -","- C155.92 H167.76 Cl6 Ir6 N24 O28 -","6","0.5","","Talarico, Anna Maria; Aiello, Iolinda; Bellusci, Anna; Crispini, Alessandra; Ghedini, Mauro; Godbert, Nicolas; Pugliese, Teresa; Szerb, Elisabeta","Highly luminescent bis-cyclometalated iridium(III) ethylenediamine complex: synthesis and correlation between the solid state polymorphism and the photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1709","1712","10.1039/b925471b","","","0.71073","MoKα","","0.0418","0.0314","","","0.0809","0.0847","","","","","","1.081","","","","has coordinates,has disorder","179956","2020-10-21","18:00:00",""
"7025291","13.913","0.002","13.913","0.002","23.141","0.005","90","","90","","120","","3879.3","1.2","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[Ni7(OH)6(L1)6](NO3)2.2MeOH","","","- C56 H66 N8 Ni7 O26 -","- C55.98 H66 N8 Ni7 O26.01 -","- C111.96 H132 N16 Ni14 O52.02 -","2","0.166667","","Meally, Seán T.; McDonald, Cecelia; Karotsis, Georgios; Papaefstathiou, Giannis S.; Brechin, Euan K.; Dunne, Peter W.; McArdle, Patrick; Power, Nicholas P.; Jones, Leigh F.","A family of double-bowl pseudo metallocalix[6]arene discs","Dalton Transactions","2010","39","20","4809","","10.1039/b926704b","","","0.7107","MoKα","","0.0751","0.0679","","","0.2101","0.2155","","","","","","1.047","","","","has coordinates","179958","2020-10-21","18:00:00",""
"7025292","13.902","0.002","13.902","0.002","23.353","0.005","90","","90","","120","","3908.7","1.2","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[Zn7(OH)6(L1)6](NO3)2.2MeOH.H2O","","","- C56 H66 N8 O27 Zn7 -","- C56.01 H66 N8 O27.03 Zn7 -","- C112.02 H132 N16 O54.06 Zn14 -","2","0.166667","","Meally, Seán T.; McDonald, Cecelia; Karotsis, Georgios; Papaefstathiou, Giannis S.; Brechin, Euan K.; Dunne, Peter W.; McArdle, Patrick; Power, Nicholas P.; Jones, Leigh F.","A family of double-bowl pseudo metallocalix[6]arene discs","Dalton Transactions","2010","39","20","4809","","10.1039/b926704b","","","0.7107","MoKα","","0.0838","0.0628","","","0.199","0.2107","","","","","","1.139","","","","has coordinates","179958","2020-10-21","18:00:00",""
"7025293","14.082","0.002","14.082","0.002","22.759","0.005","90","","90","","120","","3908.5","1.2","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[Zn7(OH)6(immp)6](NO3)2.3MeNO2","","","- C57 H66 N11 O30 Zn7 -","- C57 H66 N11 O30 Zn7 -","- C114 H132 N22 O60 Zn14 -","2","0.166667","","Meally, Seán T.; McDonald, Cecelia; Karotsis, Georgios; Papaefstathiou, Giannis S.; Brechin, Euan K.; Dunne, Peter W.; McArdle, Patrick; Power, Nicholas P.; Jones, Leigh F.","A family of double-bowl pseudo metallocalix[6]arene discs","Dalton Transactions","2010","39","20","4809","","10.1039/b926704b","","","0.7107","MoKα","","0.0769","0.0713","","","0.2035","0.2079","","","","","","1.119","","","","has coordinates","179958","2020-10-21","18:00:00",""
"7026946","10.2405","0.0005","10.2405","0.0005","38.022","0.004","90","","90","","120","","3453.1","0.4","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","6.3","","","- C28 H12 Cu F21 N3 O P -","- C28 H12 Cu F21 N3 O P -","- C112 H48 Cu4 F84 N12 O4 P4 -","4","0.333333","","Ebrahimpour, Parisa; Cushion, Michael; Haddow, Mairi F.; Hallett, Andrew J.; Wass, Duncan F.","Cu(I) complexes based on cis, cis-1,3,5-tris(arylideneamino)cyclohexane ligands: synthesis, structure and CO binding.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10910","10919","10.1039/c0dt00986e","","","0.71073","MoKα","","0.062","0.0578","","","0.2023","0.2056","","","","","","1.253","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7027406","14.809","0.003","14.809","0.003","18.39","0.003","90","","90","","120","","3492.7","1.2","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C42 H96 Fe2 N30 Ni3 O9 -","- C42 H66 Fe2 N30 Ni3 O9 -","- C84 H132 Fe4 N60 Ni6 O18 -","2","0.166667","","Kou, Hui-Zhong; Gao, Song; Bu, Wei-Ming; Liao, Dai-Zheng; Ma, Bao-Qing; Jiang, Zong-Hui; Yan, Shi-Ping; Fan, Yu-Guo; Wang, Geng-Lin","Synthesis, crystal structure and metamagnetic properties of a two-dimensional honeycomb network based on ferricyanide and (3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)nickel(II) building blocks †","Journal of the Chemical Society, Dalton Transactions","1999","","15","2477","","10.1039/a902228g","","","0.71073","MoKα","","0.0526","0.0485","","0.1255","0.109","","","","0.991","1.134","1.134","","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027973","23.173","0.003","23.173","0.003","18.795","0.004","90","","90","","120","","8741","2","293","2","293","2","","","","","","","synthesized","7","P -3 c 1","-P 3 2""c","165","1","","","- C50 H38 Ag2 Cl2 N8 O8 P2 -","- C50 H38 Ag2 Cl2 N8 O8 P2 -","- C300 H228 Ag12 Cl12 N48 O48 P12 -","6","0.5","","Kuang, Shan-Ming; Zhang, Zheng-Zhi; Wang, Qi-Guang; Mak, Thomas C. W.","Binuclear silver(I) complexes with polydentate phosphine ligands 2-(diphenylphosphino)-6-[3-(2′-pyridyl)pyrazol-1-yl]pyridine and 2-(diphenylphosphino)-6-(pyrazol-1-yl)pyridine","Journal of the Chemical Society, Dalton Transactions","1998","","17","2927","","10.1039/a803704c","","","0.71073","MoKα","","0.0926","0.0686","","0.195","0.1825","","","","1.391","1.396","1.396","","","","","has coordinates","301848","2025-08-21","12:23:49",""
"7028857","18.4788","0.001","18.4788","0.001","28.5885","0.0016","90","","90","","120","","8454.1","0.8","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C132 H78 Cl3 Mn6 N12 O32 -","- C132 H78 Cl3 Mn6 N12 O32 -","- C264 H156 Cl6 Mn12 N24 O64 -","2","0.166667","","Alexandropoulos, Dimitris I.; Mowson, Andrew M.; Pilkington, Melanie; Bekiari, Vlasoula; Christou, George; Stamatatos, Theocharis C.","Emissive molecular nanomagnets: introducing optical properties in triangular oximato {Mn(III)3} SMMs from the deliberate replacement of simple carboxylate ligands with their fluorescent analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1965","1969","10.1039/c3dt52571f","","","0.71073","MoKα","","0.1006","0.0926","","","0.2748","0.2842","","","","","","1.089","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7030818","11.9898","0.0009","11.9898","0.0009","21.5449","0.0017","90","","90","","120","","2682.2","0.4","220","2","220","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C28 H35 Li O4.5 Si -","- C27.9996 H34.9992 Li O4.4997 Si -","- C111.998 H139.997 Li4 O17.9988 Si4 -","4","0.333333","","Leich, Valeri; Lamberts, Kevin; Spaniol, Thomas P.; Okuda, Jun","Crown ether adducts of light alkali metal triphenylsilyls: synthesis, structure and hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14315","14321","10.1039/c4dt00916a","","","0.71073","MoKα","","0.1287","0.0961","","","0.2733","0.3126","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7037607","22.945","0.002","22.945","0.002","40.907","0.003","90","","90","","120","","18651","3","123","2","123","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C205.5 H226.5 Mn3 N6 -","- C205.5 H226.5 Mn3 N6 -","- C822 H906 Mn12 N24 -","4","0.333333","","Fohlmeister, Lea; Jones, Cameron","Stabilisation of carbonyl free amidinato-manganese(ii) hydride complexes: ""masked"" sources of manganese(i) in organometallic synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1436","1442","10.1039/c5dt04504e","","","0.71073","MoKα","","0.1532","0.0898","","","0.2202","0.255","","","","","","1.059","","","","has coordinates,has disorder","301849","2025-08-21","13:36:21",""
"7039756","10.3764","0.0001","10.3764","0.0001","9.4017","0.0001","90","","90","","120","","876.658","0.015","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- H6 Mn5 O18 P6 -","- H6 Mn5 O18 P6 -","- H12 Mn10 O36 P12 -","2","0.166667","","Orive, Joseba; Fernández de Luis, Roberto; Fernández, Jesús Rodríguez; Lezama, Luis; Arriortua, María I","Ax(H3O)2-xMn5(HPO3)6 (A = Li, Na, K and NH4): open-framework manganese(ii) phosphites templated by mixed cationic species.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12188","12199","10.1039/c6dt01610c","","x-ray","0.71073","MoKα","","0.0508","0.0502","","","0.1235","0.1238","","","","","","1.156","","","","has coordinates","185324","2020-10-21","18:00:00",""
"7040605","21.2619","0.0015","21.2619","0.0015","14.3882","0.001","90","","90","","120","","5633","0.7","100","","100","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C30 H28 Co N5 O5 -","- C30 H28 Co N5.00007 O4.99973 -","- C180 H168 Co6 N30.0004 O29.9984 -","6","0.5","","Cioncoloni, Giacomo; Senn, Hans M.; Sproules, Stephen; Wilson, Claire; Symes, Mark D.","The electronic and solvatochromic properties of [Co(L)(bipyridine)2](+) (L = o-catecholato, o-benzenedithiolato) species: a combined experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15575","15585","10.1039/c6dt02807a","","x-ray","0.71075","MoKα","","0.249","0.1258","","","0.3299","0.4028","","","","","","1.111","","","","has coordinates,has disorder","204134","2020-10-21","18:00:00",""
"7042056","20.5164","0.0008","20.5164","0.0008","16.8469","0.0007","90","","90","","120","","6141.2","0.4","100","2","100","1","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C260 H208 Fe12 N16 O18 U6 -","- C266.8 H228 Fe12 N24 O18 U6 -","- C266.8 H228 Fe12 N24 O18 U6 -","1","0.0833333","","Bolotaulo, Duer; Metta-Magaña, Alejandro; Fortier, Skye","F-element metalated dipyrrins: synthesis and characterization of a family of uranyl bis(dipyrrinate) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3284","3294","10.1039/c7dt00150a","","","0.71073","MoKα","","0.0516","0.033","","","0.0765","0.0853","","","","","","1.142","","","","has coordinates,has disorder","195060","2020-10-21","18:00:00",""
"7044001","12.3876","0.001","12.3876","0.001","31.693","0.003","90","","90","","120","","4211.8","0.6","150.02","","150.02","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C39 H60 Dy N7 O6 -","- C39 H54 Dy N7 O3 -","- C156 H216 Dy4 N28 O12 -","4","0.333333","","Craze, Alexander R.; Huang, Xin-Da; Etchells, Isaac; Zheng, Li-Min; Bhadbhade, Mohan; Marjo, Christopher; Clegg, Jack Kay; Moore, Evan G.; Avdeev, Maxim; Lindoy, Leonard F.; Li, Feng","Synthesis and Characterisation of New Tripodal Lanthanide Complexes and Investigation of Their Optical and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02556D","","","0.71073","MoKα","","0.0656","0.0444","","","0.136","0.1601","","","","","","1.328","","","","has coordinates,has disorder","199871","2020-10-21","18:00:00",""
"7044003","12.3525","0.0017","12.3525","0.0017","31.422","0.006","90","","90","","120","","4152.2","1.1","100","","100","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C39 H57 Eu N7 O4.5 -","- C39 H54 Eu N7 O3 -","- C156 H216 Eu4 N28 O12 -","4","0.333333","","Craze, Alexander R.; Huang, Xin-Da; Etchells, Isaac; Zheng, Li-Min; Bhadbhade, Mohan; Marjo, Christopher; Clegg, Jack Kay; Moore, Evan G.; Avdeev, Maxim; Lindoy, Leonard F.; Li, Feng","Synthesis and Characterisation of New Tripodal Lanthanide Complexes and Investigation of Their Optical and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02556D","","","0.7108","Synchrotron","","0.0714","0.0608","","","0.1384","0.1438","","","","","","1.129","","","","has coordinates","199871","2020-10-21","18:00:00",""
"7044126","19.403","0.002","19.403","0.002","21.606","0.005","90","","90","","120","","7044.4","1.9","273","2","273","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C44 H42 N4 Ni3 O16 -","- C44 H38 N4 Ni3 O16 -","- C264 H228 N24 Ni18 O96 -","6","0.5","","Wang, Junli; Bai, Yan; Pan, Hui; Zheng, Guang-Shui; Dang, Dong-Bin","Long-range magnetic ordering in a metal-organic framework based on octanuclear nickel(II) clusters","Dalton Trans.","2017","","","","","10.1039/C7DT02889J","","","0.71073","MoKα","","0.0955","0.0709","","","0.1544","0.1619","","","","","","1.014","","","","has coordinates,has disorder","200262","2020-10-21","18:00:00",""
"7044353","16.5137","0.0001","16.5137","0.0001","20.9946","0.0005","90","","90","","120","","4958.23","0.13","160","2","160","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C21 H30 Co Dy N12 O15 -","- C21 H30 Co Dy N12 O15 -","- C84 H120 Co4 Dy4 N48 O60 -","4","0.333333","","Perlepes, Spyros P.; Polyzou, Christina D.; Koumousi, Evangelia S.; Lada, Zoi G.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Rouzieres, Mathieu; Tsipis, Athanassios C.; Mathoniere, Corine; Clerac, Rodolphe","“Switching on” the single-molecule magnet properties within a series of dinuclear cobalt(III)-dysprosium(III) 2-pyridyloximate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02717F","","","1.54178","CuKα","","0.0355","0.0309","","","0.0866","0.0891","","","","","","1.119","","","","has coordinates","201490","2020-10-21","18:00:00",""
"7045366","9.9219","0.0002","9.9219","0.0002","19.6531","0.0005","90","","90","","120","","1675.53","0.06","130","2","130","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C6 Cs5 Mo3 N6 O Re3 Se8 -","- C6 Cs5 Mo3 N6 O Re3 Se8 -","- C12 Cs10 Mo6 N12 O2 Re6 Se16 -","2","0.166667","","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","","x-ray","0.71073","MoKα","","0.0509","0.0462","","","0.0922","0.0935","","","","","","1.305","","","","has coordinates","229254","2020-10-21","18:00:00",""
"7045874","11.3101","0.0016","11.3101","0.0016","19.393","0.004","90","","90","","120","","2148.4","0.6","200","2","200","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C4.5 H6 B0.33 F1.33 Fe0.17 N4 -","- C4.5 H6 B0.333333 F1.33333 Fe0.166667 N4 -","- C54 H72 B4 F16 Fe2 N48 -","12","1","","Knoll, Christian; Müller, Danny; Seifried, Marco; Giester, Gerald; Welch, Jan M.; Artner, Werner; Hradil, Klaudia; Reissner, Michael; Weinberger, Peter","Cooperativity in spin crossover materials as ligand's responsibility - investigations of the Fe(ii) - 1,3-bis((1H-tetrazol-1-yl)methyl)bicyclo[1.1.1]pentane system.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5553","5557","10.1039/c8dt00781k","","","0.71073","MoKα","","0.0634","0.0506","","","0.1324","0.1393","","","","","","1.152","","","","has coordinates","229626","2020-10-21","18:00:00",""
"7045875","11.1004","0.0007","11.1004","0.0007","19.4074","0.0015","90","","90","","120","","2071","0.2","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C27 H36 Cl2 Fe N24 O8 -","- C27 H36 Cl2 Fe N24 O8 -","- C54 H72 Cl4 Fe2 N48 O16 -","2","0.166667","","Knoll, Christian; Müller, Danny; Seifried, Marco; Giester, Gerald; Welch, Jan M.; Artner, Werner; Hradil, Klaudia; Reissner, Michael; Weinberger, Peter","Cooperativity in spin crossover materials as ligand's responsibility - investigations of the Fe(ii) - 1,3-bis((1H-tetrazol-1-yl)methyl)bicyclo[1.1.1]pentane system.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5553","5557","10.1039/c8dt00781k","","","0.71073","MoKα","","0.1006","0.0953","","","0.1857","0.1876","","","","","","1.264","","","","has coordinates","229626","2020-10-21","18:00:00",""
"7045876","11.1171","0.0016","11.1171","0.0016","19.268","0.004","90","","90","","120","","2062.3","0.6","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C4.5 H6 B0.33 F1.33 Fe0.17 N4 -","- C4.5 H6 B0.333333 F1.33333 Fe0.166667 N4 -","- C54 H72 B4 F16 Fe2 N48 -","12","1","","Knoll, Christian; Müller, Danny; Seifried, Marco; Giester, Gerald; Welch, Jan M.; Artner, Werner; Hradil, Klaudia; Reissner, Michael; Weinberger, Peter","Cooperativity in spin crossover materials as ligand's responsibility - investigations of the Fe(ii) - 1,3-bis((1H-tetrazol-1-yl)methyl)bicyclo[1.1.1]pentane system.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5553","5557","10.1039/c8dt00781k","","","0.71073","MoKα","","0.0903","0.0581","","","0.1164","0.1276","","","","","","1.105","","","","has coordinates","229626","2020-10-21","18:00:00",""
"7045877","11.2861","0.0003","11.2861","0.0003","19.6585","0.0006","90","","90","","120","","2168.55","0.11","250","2","250","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C27 H36 Cl2 Fe N24 O8 -","- C27 H36 Cl2 Fe N24 O8 -","- C54 H72 Cl4 Fe2 N48 O16 -","2","0.166667","","Knoll, Christian; Müller, Danny; Seifried, Marco; Giester, Gerald; Welch, Jan M.; Artner, Werner; Hradil, Klaudia; Reissner, Michael; Weinberger, Peter","Cooperativity in spin crossover materials as ligand's responsibility - investigations of the Fe(ii) - 1,3-bis((1H-tetrazol-1-yl)methyl)bicyclo[1.1.1]pentane system.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5553","5557","10.1039/c8dt00781k","","","0.71073","MoKα","","0.0574","0.0446","","","0.1211","0.1301","","","","","","1.057","","","","has coordinates","229626","2020-10-21","18:00:00",""
"7046553","11.9484","0.0001","11.9484","0.0001","8.7949","0.0001","90","","90","","120","","1087.38","0.018","150","2","150","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C9 H9 O6 Sn1.5 -","- C9 H9 O6 Sn1.5 -","- C36 H36 O24 Sn6 -","4","0.333333","","de Lima, G. M.; Walton, R. I.; Clarkson, G. J.; Bitzer, R. S.; Ardisson, J. D.","Air and moisture stable covalently-bonded tin(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8013","8022","10.1039/c8dt01370e","","x-ray","1.54184","CuKα","","0.0286","0.0285","","","0.0729","0.0729","","","","","","1.226","","","","has coordinates","229228","2020-10-21","18:00:00",""
"7046701","21.118","0.002","21.118","0.002","17.87","0.003","90","","90","","120","","6901.8","1.5","100","2","100.15","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C36 H36 I2 N8 O4 Ru2 -","- C36 H36 I2 N8 O4 Ru2 -","- C216 H216 I12 N48 O24 Ru12 -","6","0.5","","Sengupta, Gargi; Pandey, Pragati; De, Subhabrata; Ramapanicker, Ramesh; Bera, Jitendra K.","A bromo-capped diruthenium(i,i) N-heterocyclic carbene compound for in situ bromine generation with NBS: catalytic olefin aziridination reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11917","11924","10.1039/c8dt01851k","","","0.71073","MoKα","","0.1292","0.072","","","0.1506","0.1733","","","","","","1.027","","","","has coordinates","229981","2020-10-21","18:00:00",""
"7051118","15.049","0.002","15.049","0.002","18.794","0.004","90","","90","","120","","3686.1","1","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H126 Cr2 N30 Ni3 O24 -","- C48 H106.02 Cr2 N30 Ni3 O14 -","- C96 H212.04 Cr4 N60 Ni6 O28 -","2","0.166667","","Xiang, Hua; Gao, Song; Lu, Tong-Bu; Luck, Rudy L.; Mao, Zong-Wan; Chen, Xiao-Ming; Ji, Liang-Nian","[NiL1]3[Cr(CN)6]2·18H2O [L1=3,10-bis(2-hydroxyethyl)- 1,3,5,8,10,12-hexaazacyclotetradecane]: a two-dimensional bimetallic assembly exhibiting antiferromagnetic ordering and metamagnetic behavior","New Journal of Chemistry","2001","25","6","875","","10.1039/b101778k","","","0.71073","MoKα","","0.0748","0.0324","","","0.0859","0.1007","","","","","","1.004","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7052005","11.4609","0.0003","11.4609","0.0003","15.4443","0.0009","90","","90","","120","","1756.86","0.12","90","","90","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C6 H31.44 Cl3 Cr N6 O3.72 -","- C6 H24 Cl3 Cr N6 O3.721 -","- C24 H96 Cl12 Cr4 N24 O14.884 -","4","0.333333","","Takamizawa, Satoshi; Kohbara, Masa-aki; Akatsuka, Takamasa; Miyake, Ryosuke","Gas-adsorbing ability of tris-ethylenediamine metal complexes (M = Co(iii), Cr(iii), Rh(iii), Ir(iii)) as transformable ionic single crystal hosts","New Journal of Chemistry","2008","32","10","1782","","10.1039/b806467a","","","0.71073","MoKα","","0.0429","0.0396","","","0.126","0.1288","","","","","","1.178","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052006","10.9745","0.0016","10.9745","0.0016","15.421","0.003","90","","90","","120","","1608.5","0.5","90","","90","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C6 H24 Cl3 Cr N6 -","- C6 H24 Cl3 Cr N6 -","- C24 H96 Cl12 Cr4 N24 -","4","0.333333","","Takamizawa, Satoshi; Kohbara, Masa-aki; Akatsuka, Takamasa; Miyake, Ryosuke","Gas-adsorbing ability of tris-ethylenediamine metal complexes (M = Co(iii), Cr(iii), Rh(iii), Ir(iii)) as transformable ionic single crystal hosts","New Journal of Chemistry","2008","32","10","1782","","10.1039/b806467a","","","0.71073","MoKα","","0.0301","0.0273","","","0.0724","0.0736","","","","","","1.129","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052007","10.9593","0.0005","10.9593","0.0005","15.3981","0.0014","90","","90","","120","","1601.63","0.18","90","","90","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C6 H24 Cl3 N6 Rh -","- C6 H24 Cl3 N6 Rh -","- C24 H96 Cl12 N24 Rh4 -","4","0.333333","","Takamizawa, Satoshi; Kohbara, Masa-aki; Akatsuka, Takamasa; Miyake, Ryosuke","Gas-adsorbing ability of tris-ethylenediamine metal complexes (M = Co(iii), Cr(iii), Rh(iii), Ir(iii)) as transformable ionic single crystal hosts","New Journal of Chemistry","2008","32","10","1782","","10.1039/b806467a","","","0.71073","MoKα","","0.088","0.0823","","","0.1557","0.1582","","","","","","1.379","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052008","11.4083","0.0006","11.4083","0.0006","15.3968","0.0016","90","","90","","120","","1735.4","0.2","90","","90","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C6 H30.74 Cl3 N6 O3.37 Rh -","- C6 H24 Cl3 N6 O3.37 Rh -","- C24 H96 Cl12 N24 O13.48 Rh4 -","4","0.333333","","Takamizawa, Satoshi; Kohbara, Masa-aki; Akatsuka, Takamasa; Miyake, Ryosuke","Gas-adsorbing ability of tris-ethylenediamine metal complexes (M = Co(iii), Cr(iii), Rh(iii), Ir(iii)) as transformable ionic single crystal hosts","New Journal of Chemistry","2008","32","10","1782","","10.1039/b806467a","","","0.71073","MoKα","","0.0678","0.046","","","0.1051","0.1134","","","","","","1.074","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7053681","8.719","0.0006","8.719","0.0006","9.5219","0.0009","90","","90","","120","","626.88","0.09","200","","200","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- F18 In Sb3 -","- F18 In Sb3 -","- F36 In2 Sb6 -","2","0.166667","","Mazej, Zoran; Goreshnik, Evgeny","Fluoride ion donor properties of group 13 trifluorides (MF3, M = Al, Ga, In, Tl) and crystal structures of InF3·3SbF5, TlF3·3SbF5 and TlF3·AsF5·2HF","New Journal of Chemistry","2010","34","12","2806","","10.1039/c0nj00514b","","","0.71069","MoKα","","","0.0398","","","","0.0913","","","","","","1.269","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7057532","13.802","0.003","13.802","0.002","20.08","0.003","90","","90","","120","","3312.7","1","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H45 I2 N9 O3 Zn -","- C30 H45.042 I2 N9 O3 Zn -","- C120 H180.168 I8 N36 O12 Zn4 -","4","0.333333","","Purkait, Suranjana; Chakraborty, Prateeti; Frontera, Antonio; Bauzá, Antonio; Zangrando, Ennio; Das, Debasis","Zinc(ii) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation","New Journal of Chemistry","2018","42","15","12998","","10.1039/C8NJ01853G","","","0.7","synchrotron","","0.0661","0.0638","","","0.1855","0.1873","","","","","","1.063","","","","has coordinates,has disorder","230452","2020-10-21","18:00:00",""
"7058427","20.9697","0.0008","20.9697","0.0008","22.6321","0.001","90","","90","","120","","8618.7","0.6","293","2","293","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C28 H28 Cu2 Mo12 N8 O44 Si -","- C28 H28 Cu2 Mo12 N8 O44 Si -","- C168 H168 Cu12 Mo72 N48 O264 Si6 -","6","0.5","","Tian, Aixiang; Fu, Yubo; Cui, Hongtao; Ying, Jun; Yang, Mengle; Yang, Yan; Wang, Xiuli","A series of metal-organic loops templated by [SiMo12O40]4- and [β-Mo8O26]4- anions by using double chelate ligands: amperometric sensoring and selective photocatalytic properties","New Journal of Chemistry","2019","43","25","9980","9988","10.1039/C9NJ02224D","","","0.71073","MoKα","","0.0708","0.0556","","","0.1186","0.1293","","","","","","1.036","","","","has coordinates","301442","2025-08-04","07:34:09",""
"7058471","13.2638","0.0003","13.2638","0.0003","14.1414","0.0003","90","","90","","120","","2154.56","0.08","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","YbCuIDA","Ytterbium Copper (II) Iminodiacetate hydrate","","- C24 H30 Cu3 N6 O24 Yb2 -","- C24 H30 Cu3 N6 O24 Yb2 -","- C48 H60 Cu6 N12 O48 Yb4 -","2","0.166667","","Cancino, Patricio; Santibañez, Luis; Stevens, Christian; Fuentealba, Pablo; Audebrand, Nathalie; Aravena, Daniel; Torres, Julia; Martinez, Sebastian; Kremer, Carlos; Spodine, Evgenia","Influence of the channel size of isostructural 3d‒4f MOFs on the catalytic aerobic oxidation of cycloalkenes","New Journal of Chemistry","2019","43","28","11057","","10.1039/C9NJ02091H","","","1.54178","CuKα","","0.0372","0.0239","","","0.0495","0.0538","","","","","","1.085","","","","has coordinates","224679","2020-10-21","18:00:00",""
"7100108","36.0766","0.0012","36.0766","0.0012","19.0238","0.0007","90","","90","","120","","21442.7","1.3","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C91 H167 Cr8 F11 N4 Ni O37 -","- C91 Cr8.01 F11 N4 Ni0.99 O37 -","- C546 Cr48.06 F66 N24 Ni5.94 O222 -","6","0.5","","R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco","Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates","Chemical Communications","2005","","","","","10.1039/b504912a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7101324","19.143","0.0016","19.143","0.0016","9.27","0.0015","90","","90","","120","","2941.9","0.6","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C27 H48 Co8 N7 O30 P6 -","- C27 H48 Co8 N6.48 O30 P6 -","- C54 H96 Co16 N12.96 O60 P12 -","2","0.166667","","Groves, John A.; Miller, Stuart R.; Warrender, Stewart J.; Mellot-Draznieks, Caroline; Lightfoot, Philip; Wright, Paul A.","The first route to large pore metal phosphonates","Chemical Communications (Cambridge, United Kingdom)","2006","","31","3305","3307","10.1039/b605400e","","","0.6713","synchrotron","","0.0752","0.0531","","","0.1437","0.1565","","","","","","1.05","","","","has coordinates","288000","2023-12-04","15:48:37",""
"7101990","14.355","0.003","14.355","0.003","13.705","0.005","90","","90","","120","","2445.7","1.2","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C12 H30 F2 Mn7 N54 O12 -","- C12 H30 F2 Mn7 N54 O12 -","- C24 H60 F4 Mn14 N108 O24 -","2","0.166667","","Gao, En-Qing; Liu, Na; Cheng, Ai-Ling; Gao, Song","Novel frustrated magnetic lattice based on triangular [Mn3(micro3-F)] clusters with tetrazole ligands.","Chemical communications (Cambridge, England)","2007","","24","2470","2472","10.1039/b701840a","","","0.71073","MoKα","","0.0301","0.0277","","","0.0656","0.0669","","","","","","1.091","","","","has coordinates","180121","2020-10-21","18:00:00",""
"7101991","14.289","0.003","14.289","0.003","13.738","0.004","90","","90","","120","","2429.1","1.1","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C12 H32 Mn7 N54 O14 -","- C12 H32 Mn7 N54 O14 -","- C24 H64 Mn14 N108 O28 -","2","0.166667","","Gao, En-Qing; Liu, Na; Cheng, Ai-Ling; Gao, Song","Novel frustrated magnetic lattice based on triangular [Mn3(micro3-F)] clusters with tetrazole ligands.","Chemical communications (Cambridge, England)","2007","","24","2470","2472","10.1039/b701840a","","","0.71073","MoKα","","0.0573","0.0304","","","0.0413","0.0438","","","","","","0.801","","","","has coordinates","180121","2020-10-21","18:00:00",""
"7102811","32.5392","0.0006","32.5392","0.0006","14.4167","0.0012","90","","90","","120","","13219.3","1.2","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C67 H51 Cd N18 O3.67 S -","- C67 H49 Cd N18 O4 S -","- C402 H294 Cd6 N108 O24 S6 -","6","0.5","","Zheng, Sheng-Run; Yang, Qing-Yuan; Liu, Yong-Ru; Zhang, Jian-Yong; Tong, Ye-Xiang; Zhao, Cun-Yuan; Su, Cheng-Yong","Assembly of CdI2-type coordination networks from triangular ligand and octahedral metal center: topological analysis and potential framework porosity","Chemical Communications (Cambridge, United Kingdom)","2008","","3","356","358","10.1039/b711457e","","","1.54178","CuKα","","0.1618","0.085","","","0.1855","0.2083","","","","","","1.067","","","","has coordinates,has disorder","210782","2020-10-21","18:00:00",""
"7105825","15.1399","0.001","15.1399","0.001","8.9784","0.0012","90","","90","0.001","120","","1782.3","0.3","273","2","273","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C12 H8 Cu N4 -","- C12 H8 Cu N4 -","- C72 H48 Cu6 N24 -","6","0.5","","Shui-Sheng Chen; Min Chen; Satoshi Takamizawa; Man-Sheng Chen; Zhi Su; Wei-Yin Sun","Temperature dependent selective gas sorption of the microporous metal-imidazolate framework [Cu(L)] [H2L = 1,4-di(1H-imidazol-4-yl)benzene]","Chem.Commun.","2011","47","","752","","10.1039/c0cc04085a","","","0.71073","MoKα","","0.0453","0.0355","","","0.08","0.0833","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108816","24.6465","0.0008","24.6465","0.0009","35.3753","0.001","90","","90","","120","","18609.8","1.1","183","2","183","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C150 H162 B12 Ba4 O P12 -","- C150 H162 B12 Ba4 O P12 -","- C600 H648 B48 Ba16 O4 P48 -","4","0.333333","","Jens Langer; Villo K. Palfi; Helmar Gorls; Markus Reiher; Matthias Westerhausen","Formation of a Ph2PCH(BH3)P(BH3)Ph2 ligand via formal 1,2-borane migration","Chemical communications (Cambridge, England)","2013","49","11","1121","1123","10.1039/c2cc38098f","","","0.71073","MoKα","","0.1445","0.0746","","","0.2023","0.2311","","","","","","1.056","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7109828","22.6009","0.0004","22.6009","0.0004","22.3136","0.0006","90","","90","","120","","9870.8","0.4","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C161 H142 Cl28 Cu3 N12 O54 -","- C161 H141.98 Cl27.98 Cu3 N12 O54 -","- C322 H283.96 Cl55.96 Cu6 N24 O108 -","2","0.166667","","Haeri Lee; Tae Hwan Noh; Ok-Sang Jung","Reversible supra-channel effects: 3D kagome structure and catalysis via a molecular array of 1D coordination polymers","Chem.Commun.","2013","49","","9182","","10.1039/c3cc45587d","","","0.71073","MoKα","","0.2036","0.0917","","","0.2457","0.3174","","","","","","1.021","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7112113","22.1594","0.0005","22.1594","0.0005","27.102","0.0007","90","","90","","120","","11525.2","0.5","120","2","120","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C73 H115 Cu3 N3 O40 Y6 -","- C73 H115 Cu3 N3 O40 Y6 -","- C292 H460 Cu12 N12 O160 Y24 -","4","0.333333","","Thomas N. Hooper; Ross Inglis; Maria A. Palacios; Gary S. Nichol; Mateusz B. Pitak; Simon J. Coles; Giulia Lorusso; Marco Evangelisti; Euan K. Brechin","CO2 as a reaction ingredient for the construction of metal cages: a carbonate-panelled [Gd6Cu3] tridiminished icosahedron","Chem.Commun.","2014","50","","3498","","10.1039/c4cc00141a","","","0.71073","MoKα","","0.0865","0.0615","","","0.1676","0.1826","","","","","","1.032","","","","has coordinates,has disorder","301857","2025-08-21","22:47:15",""
"7112114","22.2578","0.0015","22.2578","0.0015","26.9738","0.0018","90","","90","","120","","11572.8","1.3","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C73 H111 Cu3 Gd6 N3 O40 -","- C73 H111 Cu3 Gd6 N3 O40 -","- C292 H444 Cu12 Gd24 N12 O160 -","4","0.333333","","Thomas N. Hooper; Ross Inglis; Maria A. Palacios; Gary S. Nichol; Mateusz B. Pitak; Simon J. Coles; Giulia Lorusso; Marco Evangelisti; Euan K. Brechin","CO2 as a reaction ingredient for the construction of metal cages: a carbonate-panelled [Gd6Cu3] tridiminished icosahedron","Chem.Commun.","2014","50","","3498","","10.1039/c4cc00141a","","","0.71075","MoKα","","0.0339","0.0329","","","0.0901","0.091","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7114219","22.0184","0.0002","22.0184","0.0002","51.6679","0.0005","90","","90","","120","","21693.2","0.3","173","","173","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C183 H207 Cl9 Hg9 O3 S36 -","- C182 H198 Cl9 Hg9 O3 S36 -","- C728 H792 Cl36 Hg36 O12 S144 -","4","0.333333","","Akdas, Huriey; Graf, Ernest; Hosseini, Mir Wais; De Cian, André; Bilyk, Alex; Skelton, Brian W.; Koutsantonis, George A.; Murray, Ian; Harrowfield, Jack M.; White, Allan H.","Koilands from thiophiles: mercury(ii) clusters from thiacalixarenes","Chemical Communications","2002","","10","1042","","10.1039/b201379g","","","0.71073","Mo-Kα","","0.184","0.064","","0.587","","0.081","","","52.143","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116609","14.5525","0.0003","14.5525","0.0003","24.7573","0.0006","90","","90","","120","","4540.56","0.17","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C42 H36 N6 O7 Zn4 -","- C42 H36 N6 O7 Zn4 -","- C168 H144 N24 O28 Zn16 -","4","0.333333","","D. Prochowicz; K. Sokolowski; I. Justyniak; A. Kornowicz; D. Fairen-Jimenez; T. Friscic; J. Lewinski","A mechanochemical strategy for IRMOF assembly based on pre-designed oxo-zinc precursors","Chem.Commun.","2015","51","","4032","","10.1039/C4cc09917F","","","0.71073","MoKα","","0.062","0.0539","","","0.1134","0.1176","","","","","","1.151","","","","has coordinates","301857","2025-08-21","22:47:26",""
"7116623","13.5006","0.0014","13.5006","0.0014","29.691","0.003","90","","90","","120","","4686.6","0.8","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C48 H42 N4 O6 -","- C48 H42 N4 O6 -","- C192 H168 N16 O24 -","4","0.333333","","Koushik Acharyya; Partha Sarathi Mukherjee","Shape and size directed self-selection in organic cage formation","Chem.Commun.","2015","51","","4241","","10.1039/C5cc00075K","","","0.71073","MoKα","","0.1766","0.132","","","0.3032","0.3269","","","","","","1.292","","","","has coordinates","301857","2025-08-21","22:47:26",""
"7118459","13.0109","0.0003","13.0109","0.0003","51.3152","0.0011","90","","90","","120","","7523","0.3","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C150 H101 Br3 Cu4 La6 N12 O39 -","- C150 H96 Br3 Cu4 La6 N12 O39 -","- C300 H192 Br6 Cu8 La12 N24 O78 -","2","0.166667","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian; Yang, Guo-Yu","Halogen dependent symmetry change in two series of wheel cluster organic frameworks built from La18 tertiary building units.","Chemical communications (Cambridge, England)","2016","52","7","1455","1457","10.1039/c5cc08702c","","","1.54178","CuKα","","0.1062","0.0988","","","0.2553","0.2622","","","","","","1.051","","","","has coordinates","174472","2020-10-21","18:00:00",""
"7118460","13.0142","0.0003","13.0142","0.0003","51.3233","0.0011","90","","90","","120","","7528","0.3","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C150 H101 Cu4 I3 La6 N12 O39 -","- C150 H96 Cu4 I3 La6 N12 O39 -","- C300 H192 Cu8 I6 La12 N24 O78 -","2","0.166667","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian; Yang, Guo-Yu","Halogen dependent symmetry change in two series of wheel cluster organic frameworks built from La18 tertiary building units.","Chemical communications (Cambridge, England)","2016","52","7","1455","1457","10.1039/c5cc08702c","","","1.54178","CuKα","","0.1036","0.0955","","","0.2446","0.2509","","","","","","1.055","","","","has coordinates","174472","2020-10-21","18:00:00",""
"7119256","13.4555","0.0008","13.4555","0.0008","37.438","0.003","90","","90","","120","","5870.1","0.7","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C132 H99 Cl F12 Fe2 N36 O2 P2 -","- C132 H99 Cl F12 Fe2 N36 O2 P2 -","- C264 H198 Cl2 F24 Fe4 N72 O4 P4 -","2","0.166667","","Darawsheh, M. D.; Barrios, L. A.; Roubeau, O.; Teat, S. J.; Aromí, G","Guest-tuned spin crossover in flexible supramolecular assemblies templated by a halide (Cl(-), Br(-) or I(-)).","Chemical communications (Cambridge, England)","2017","53","3","569","572","10.1039/c6cc08906b","","","0.7749","synchrotron","","0.1589","0.1402","","","0.3014","0.3137","","","","","","1.099","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119259","13.5619","0.0005","13.5619","0.0005","37.307","0.002","90","","90","","120","","5942.4","0.4","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C132 H99 Br F12 Fe2 N36 O2 P2 -","- C132 H99 Br F12 Fe2 N36 O2 P2 -","- C264 H198 Br2 F24 Fe4 N72 O4 P4 -","2","0.166667","","Darawsheh, M. D.; Barrios, L. A.; Roubeau, O.; Teat, S. J.; Aromí, G","Guest-tuned spin crossover in flexible supramolecular assemblies templated by a halide (Cl(-), Br(-) or I(-)).","Chemical communications (Cambridge, England)","2017","53","3","569","572","10.1039/c6cc08906b","","","0.7749","synchrotron","","0.0764","0.0651","","","0.1644","0.1725","","","","","","1.15","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7120991","13.2426","0.0002","13.2426","0.0002","35.7164","0.0008","90","","90","","120","","5424.31","0.17","193","2","193","2","","","","","","","synthesis as described","8","P -3 c 1","-P 3 2""c","165","","","","- C36 H20 Au3 B2 Br3 F12 N12 Pb -","- C36 H20 Au3 B2 Br3 F12 N12 Pb -","- C144 H80 Au12 B8 Br12 F48 N48 Pb4 -","4","0.333333","","Echeverría, Raquel; López-de-Luzuriaga, José M; Monge, Miguel; Moreno, Sonia; Olmos, M. Elena; Rodríguez-Castillo, María","Lead encapsulation by a golden clamp through multiple electrostatic, metallophilic, hydrogen bonding and weak interactions.","Chemical communications (Cambridge, England)","2018","54","3","295","298","10.1039/c7cc08710a","","x-ray","0.71073","MoKα","","0.058","0.0355","","","0.0861","0.0953","","","","","","1.056","","","","has coordinates","228607","2020-10-21","18:00:00",""
"7121040","11.8967","0.0017","11.8967","0.0017","22.394","0.005","90","","90","","120","","2744.8","0.8","100.15","","100.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C36 H72 Ge7 K2 N4 O12 P2 -","- C36 H72 Ge6.9999 K2 N4 O12 P1.9998 -","- C72 H144 Ge13.9998 K4 N8 O24 P3.9996 -","2","0.166667","","Mitzinger, Stefan; Bandemehr, Jascha; Reiter, Kevin; Scott McIndoe, J.; Xie, Xiulan; Weigend, Florian; Corrigan, John F.; Dehnen, Stefanie","(Ge<sub>2</sub>P<sub>2</sub>)<sup>2-</sup>: a binary analogue of P<sub>4</sub> as a precursor to the ternary cluster anion [Cd<sub>3</sub>(Ge<sub>3</sub>P)<sub>3</sub>]<sup>3</sup>.","Chemical communications (Cambridge, England)","2018","54","12","1421","1424","10.1039/c7cc08348c","","","0.71073","MoKα","","0.1022","0.0652","","","0.1526","0.1674","","","","","","0.877","","","","has coordinates,has disorder","228601","2020-10-21","18:00:00",""
"7121084","28.4167","0.0007","28.4167","0.0007","19.3922","0.001","90","","90","","120","","13561.4","0.8","296","2","296.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C126 H163 Cl18 N42 O84 Tb6 Zn6 -","- C126 H102 Cl18.0002 N42 O85.0002 Tb6 Zn6 -","- C252 H204 Cl36.0004 N84 O170 Tb12 Zn12 -","2","0.166667","","Wu, Jianfeng; Li, Xiao-Lei; Guo, Mei; Zhao, Lang; Zhang, Yi-Quan; Tang, Jinkui","Realization of toroidal magnetic moments in heterometallic 3d-4f metallocycles.","Chemical communications (Cambridge, England)","2018","54","9","1065","1068","10.1039/c7cc09391h","","","0.71073","MoKα","","0.1394","0.0838","","","0.2403","0.2927","","","","","","1.027","","","","has coordinates","228402","2020-10-21","18:00:00",""
"7121085","28.181","0.0011","28.181","0.0011","20.0915","0.0015","90","","90","","120","","13818.3","1.3","296","2","296.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C126 H115 Cl17 Cu6 N42 O51 Tb6 -","- C126 H102 Cl17 Cu6 N42 O51 Tb6 -","- C252 H204 Cl34 Cu12 N84 O102 Tb12 -","2","0.166667","","Wu, Jianfeng; Li, Xiao-Lei; Guo, Mei; Zhao, Lang; Zhang, Yi-Quan; Tang, Jinkui","Realization of toroidal magnetic moments in heterometallic 3d-4f metallocycles.","Chemical communications (Cambridge, England)","2018","54","9","1065","1068","10.1039/c7cc09391h","","","0.71073","MoKα","","0.117","0.0714","","","0.2162","0.2606","","","","","","1.028","","","","has coordinates","228402","2020-10-21","18:00:00",""
"7121086","28.4167","0.0007","28.4167","0.0007","19.3922","0.001","90","","90","","120","","13561.4","0.8","296","2","296.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C126 H163 Cl18 Dy6 N42 O84 Zn6 -","- C126 H102 Cl18.0002 Dy6 N42 O85.0002 Zn6 -","- C252 H204 Cl36.0004 Dy12 N84 O170 Zn12 -","2","0.166667","","Wu, Jianfeng; Li, Xiao-Lei; Guo, Mei; Zhao, Lang; Zhang, Yi-Quan; Tang, Jinkui","Realization of toroidal magnetic moments in heterometallic 3d-4f metallocycles.","Chemical communications (Cambridge, England)","2018","54","9","1065","1068","10.1039/c7cc09391h","","","0.71073","MoKα","","0.1048","0.071","","","0.2055","0.2406","","","","","","1.035","","","","has coordinates","228402","2020-10-21","18:00:00",""
"7125595","33.788","0.012","33.788","0.007","39.938","0.008","90","","90","","120","","39486","18","180","2","180","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C160 H174 F3 Fe4 N28 O51 S12.5 -","- C72 H48 F1.52 Fe2 N12 O18 S6.25 -","- C576 H384 F12.16 Fe16 N96 O144 S50 -","8","0.666667","","Riddell, Imogen A.; Smulders, Maarten M. J.; Clegg, Jack K.; Nitschke, Jonathan R.","Encapsulation, storage and controlled release of sulfur hexafluoride from a metal-organic capsule.","Chemical communications (Cambridge, England)","2011","47","1","457","459","10.1039/c0cc02573a","","","0.71073","MoKα","","0.1596","0.1335","","","0.3527","0.369","","","","","","1.343","","","","has coordinates,has disorder","244114","2020-10-21","18:00:00",""
"7128409","24.9668","0.0012","24.9668","0.0012","44.274","0.0011","90","","90","","120","","23900.4","1.7","103","2","103.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C132 H93 Ag29 N13 Na4 O3 S24 -","- C132 H93 Ag29 N13 Na4 O3 S24 -","- C528 H372 Ag116 N52 Na16 O12 S96 -","4","0.333333","","Ishii, Wataru; Katao, Shohei; Nishikawa, Yoshiko; Okajima, Yasuo; Hatori, Atsuya; Ehara, Masahiro; Kawai, Tsuyoshi; Nakashima, Takuya","The emergence of intense near-infrared photoluminescence by photoactivation of silver nanoclusters.","Chemical communications (Cambridge, England)","2021","57","53","6483","6486","10.1039/d1cc02119b","","x-ray","0.71075","MoKα","","0.1174","0.0867","","","0.2944","0.3369","","","","","","1.076","","","","has coordinates,has disorder","267009","2021-07-05","16:14:49",""
"7128733","27.825","0.004","27.825","0.004","44.321","0.008","90","","90","","120","","29717","8","100","","100","","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C258 H192 B8 F32 N24 O26 P4 Zn4 -","- C258.15 H192.3 B8 F32 N24 O26.05 P4 Zn4 -","- C1032.6 H769.2 B32 F128 N96 O104.2 P16 Zn16 -","4","0.333333","","Yamamura, Masaki; Saito, Tsuyoshi; Hasegawa, Toru; Nishibori, Eiji; Nabeshima, Tatsuya","Synthesis of a chiral metallo-capsule composed of concave molecules and chirogenesis upon fullerene binding.","Chemical communications (Cambridge, England)","2021","57","70","8754","8757","10.1039/d1cc02341a","","","0.8","","","0.1575","0.1393","","","0.3866","0.4107","","","","","","1.471","","","","has coordinates","268502","2021-09-06","09:00:01",""
"7129346","10.407","0.003","10.407","0.003","48.843","0.012","90","","90","","120","","4581","2","223","2","223","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C16 H11 F2 Fe0.33 N2.17 O2 S0.67 -","- C16 H11 F1.9999 Fe0.333333 N2.16667 O1.9999 S0.666633 -","- C192 H132 F23.9988 Fe4 N26 O23.9988 S7.9996 -","12","1","","Yang, Yang; Li, Hanning; Jing, Xu; Wu, Yuchen; Shi, Youpeng; Duan, Chunying","Dye-loaded metal-organic helical capsules applied to the combination of photocatalytic H2S splitting and nitroaromatic hydrogenation","Chemical Communications","2021","","","","","10.1039/D1CC06166F","","","0.71073","MoKα","","0.2597","0.1199","","","0.281","0.3444","","","","","","1.158","","","","has coordinates,has disorder","271062","2021-12-03","22:56:48",""
"7130066","21.671","0.006","21.671","0.006","40.013","0.013","90","","90","","120","","16274","8","200","2","200","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C210 H150 Cu12 N30 O84 -","- C210 H150 Cu12 N30 O84 -","- C420 H300 Cu24 N60 O168 -","2","0.166667","","Liu, Li-Hua; Liu, Lin; Chi, Hao-Ran; Li, Chen-Ning; Han, Zheng-Bo","A [(M2)6L8] metal–organic polyhedron with high CO2 uptake and efficient chemical conversion of CO2 under ambient conditions","Chemical Communications","2022","","","","","10.1039/D2CC01734B","","","0.71073","MoKα","","0.1107","0.0909","","","0.1986","0.2159","","","","","","1.084","","","","has coordinates","275282","2022-05-09","21:52:03",""
"7130471","14.9296","0.0011","14.9296","0.0011","23.2119","0.0018","90","","90","","120","","4480.6","0.6","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","NiBL","","","- C39 H60 B N4 Ni P3 -","- C39 H60 B N4 Ni P3 -","- C156 H240 B4 N16 Ni4 P12 -","4","0.333333","","Prat, Jacob R.; Cammarota, Ryan C.; Graziano, Brendan J.; Moore, James T.; Lu, Connie C.","Toggling the Z-type interaction off-on in nickel-boron dihydrogen and anionic hydride complexes.","Chemical communications (Cambridge, England)","2022","58","63","8798","8801","10.1039/d2cc03219h","","","0.71073","MoKα","","0.048","0.0344","","","0.0754","0.0827","","","","","","1.09","","","","has coordinates","277068","2022-08-04","21:51:52",""
"7133084","7.0716","0.0004","7.0716","0.0004","18.0458","0.0019","90","","90","","120","","781.52","0.1","293","","293","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Cs Al B O Cl","CsAlB3O6Cl","","- Al B3 Cl Cs O6 -","- Al B3 Cl Cs1.0001 O6 -","- Al4 B12 Cl4 Cs4.0004 O24 -","4","0.333333","","Liu, Haoran; Jiao, Jiahao; Tudi, Abudukadi; Liu, Qingyu; Yang, Zhihua; Pan, Shilie; Zhang, Min","CsAlB<sub>3</sub>O<sub>6</sub>Cl: the rational construction of a KBBF-type structure with aligned <sup>2</sup><sub>∞</sub>[AlB<sub>3</sub>O<sub>6</sub>Cl] layers <i>via</i> introducing unprecedented [AlO<sub>3</sub>Cl] tetrahedra.","Chemical communications (Cambridge, England)","2024","60","51","6516","6519","10.1039/d4cc01827c","","","0.71073","MoKα","","0.0399","0.0317","","","0.0771","0.0802","","","","","","1.252","","","","has coordinates","292767","2024-07-05","13:12:53",""
"7134021","10.5944","0.0009","10.5944","0.0009","16.2218","0.0014","90","","90","","120","","1576.8","0.2","400","0.1","400","0.1","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 Cl2 N6 O10 Zn -","- C30 H24 Cl2 N6 O8 Zn -","- C60 H48 Cl4 N12 O16 Zn2 -","2","0.166667","","Haldar, Rajashi; Naskar, Sudip; Jana, Bapan; Mandal, Dipankar; Shanmugam, Maheswaran","Harnessing thermal waste with a poling-free molecular pyroelectric zinc(II) complex.","Chemical communications (Cambridge, England)","2024","61","2","318","321","10.1039/d4cc06054g","","x-ray","0.71073","MoKα","","0.1259","0.0881","","","0.269","0.3105","","","","","","1.091","","","","has coordinates","298019","2025-03-04","18:24:32",""
"7134111","27.6432","0.0009","27.6432","0.0009","15.0008","0.0006","90","","90","","120","","9927.1","0.6","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C99.51 H110.04 N12 O22.51 P -","- C87 H63 N12 O10 P -","- C348 H252 N48 O40 P4 -","4","0.333333","","Li, Ran; Deng, Xuan; Yin, Fan; Duan, Xiao-Fang; Zhou, Li-Peng; Zhou, Yang; Guo, Xiao-Qing; Sun, Qing-Fu","Sensitive detection of formaldehyde <i>via</i> a luminescent distorted Eu<sub>4</sub>L<sub>4</sub> tetrahedral cage.","Chemical communications (Cambridge, England)","2025","61","10","2135","2138","10.1039/d4cc05823b","","","1.54184","CuKα","","0.1494","0.1275","","","0.3741","0.3967","","","","","","1.44","","","","has coordinates","297987","2025-03-04","18:08:10",""
"7200188","14.3137","0.0003","14.3137","0.0003","13.7292","0.0007","90","","90","","120","","2436.01","0.14","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C12 H32 Mn7 N54 O14 -","- C12 H24 Mn7 N54 O14 -","- C24 H48 Mn14 N108 O28 -","2","0.166667","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0231","0.0218","","","0.0653","0.0662","","","","","","1.056","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7203763","16.495","0.007","16.495","0.007","14.697","0.008","90","","90","","120","","3463","3","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C1.5 H6 Cl0.75 Ga0.25 N3 O1.5 -","- C1.5 H6 Cl0.75 Ga0.25 N3 O1.5 -","- C36 H144 Cl18 Ga6 N72 O36 -","24","2","","Sardar, Kripasindhu; Dan, Meenakshi; Schwenzer, Birgit; Rao, C. N. R.","A simple single-source precursor route to the nanostructures of AlN, GaN and InN","Journal of Materials Chemistry","2005","15","22","2175","","10.1039/b502887f","","","0.71073","MoKα","","0.1613","0.0613","","0.1555","0.1212","","","","1.017","1.198","1.198","","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7206334","14.347","0.0018","14.347","0.0018","20.408","0.002","90","","90","","120","","3637.9","0.7","298","2","298","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 N12 O35 Zn11 -","- C48 H60 N12 O35 Zn11 -","- C96 H120 N24 O70 Zn22 -","2","0.166667","","Zeng, Rong-Rong; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","An unusual (3,6)-connected microporous metal‒organic framework based on tetrahedral Zn4 clusters with selective adsorption of CO2","CrystEngComm","2011","13","15","4823","","10.1039/c1ce05429e","","","0.71073","MoKα","","0.1019","0.0662","","","0.1703","0.192","","","","","","1.048","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206548","27.6841","0.0011","27.6841","0.0011","17.4801","0.0014","90","","90","","120","","11602.1","1.1","120","2","120","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C152 H116 Ag5 Fe3 N18 O33 S5 -","- C130.86 H81 Ag5 Fe3 N18 O23.94 S0.66 -","- C261.72 H162 Ag10 Fe6 N36 O47.88 S1.32 -","2","0.166667","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.2368","0.1667","","0.455","","0.4279","","","1.429","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7207014","10.3966","0.0011","10.3966","0.0011","27.848","0.006","90","","90","","120","","2606.8","0.7","298","2","298","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H60 Cl4 Cu5 N6 O34 -","- C30 H60 Cl4 Cu5 N6 O34 -","- C60 H120 Cl8 Cu10 N12 O68 -","2","0.166667","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.0883","0.0657","","","0.1729","0.1847","","","","","","1.168","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207900","18.7594","0.0009","18.7594","","15.4559","0.0011","90","","90","","120","","4710.5","0.4","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C48 H36 Eu N7 O6 -","- C48 H36 Eu N7 O6 -","- C192 H144 Eu4 N28 O24 -","4","0.333333","","Yan, Cheng; Li, Kang; Wei, Shi-Chao; Wang, Hai-Ping; Fu, Lei; Pan, Mei; Su, Cheng-Yong","Lanthanide homometallic and d‒f heterometallic MOFs from the same tripodal ligand: structural comparison, one photon (OP) vs. two photon (TP) luminescence and selective guest adsorption behavior","Journal of Materials Chemistry","2012","22","19","9846","","10.1039/c2jm00001f","","","0.71073","MoKα","","0.1054","0.0625","","","0.1656","0.2013","","","","","","1.069","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7210295","25.7473","0.0014","25.7473","0.0014","23.3799","0.0013","90","","90","","120","","13422.6","1.3","173","2","173","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C20 H44 Cl4 N9 Ni4.5 O28.5 S4 -","- C20 H44 Cl4 N9 Ni4.5 O28.5033 S4 -","- C240 H528 Cl48 N108 Ni54 O342.04 S48 -","12","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0484","0.0377","","","0.095","0.1034","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211777","13.806","0.002","13.806","0.002","23.27","0.005","90","","90","","120","","3841.2","1.1","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","(Ni7(OH)6(L1)6)(NO3)2","","","- C54 H66 N8 Ni7 O24 -","- C54 H66 N8 Ni7 O24 -","- C108 H132 N16 Ni14 O48 -","2","0.166667","","Meally, Seán T.; Karotsis, Georgios; Brechin, Euan K.; Papaefstathiou, Giannis S.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F.","Planar [Ni7] discs as double-bowl, pseudo metallacalix[6]arene host cavities","CrystEngComm","2010","12","1","59","","10.1039/b914538a","","","0.7107","MoKα","","0.1209","0.0802","","","0.2446","0.2662","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:29",""
"7211778","13.933","0.002","13.933","0.002","22.742","0.005","90","","90","","120","","3823.4","1.1","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","(Ni7(OH)6(L1)6)(NO3)2.3MeNO2","","","- C57 H75 N11 Ni7 O24 -","- C57 H60 N11 Ni7 O30 -","- C114 H120 N22 Ni14 O60 -","2","0.166667","","Meally, Seán T.; Karotsis, Georgios; Brechin, Euan K.; Papaefstathiou, Giannis S.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F.","Planar [Ni7] discs as double-bowl, pseudo metallacalix[6]arene host cavities","CrystEngComm","2010","12","1","59","","10.1039/b914538a","","","0.7107","MoKα","","0.064","0.0502","","","0.1676","0.1725","","","","","","1.191","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7212615","15.6887","0.0003","15.6887","0.0003","22.2702","0.0008","90","","90","","120","","4747.1","0.2","150","","150","","","","","","","","CMs8","6","P -3 c 1","-P 3 2""c","165","","","","- C42 H42 Cl Mn3 N6 O14 -","- C39 H30 Cl Mn3 N6 O11 -","- C156 H120 Cl4 Mn12 N24 O44 -","4","0.333333","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.1095","0.0666","","0.1807","0.137","0.1807","","","","","","0.7718","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214005","13.8148","0.0018","13.8148","0.0018","18.612","0.005","90","","90","","120","","3076.2","1","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C0 H7 In4 N0 O24 P7 -","- H7 In4 O24 P7 -","- H28 In16 O96 P28 -","4","0.333333","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0555","0.0434","","","0.1198","0.1247","","","","","","1.082","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7216217","13.6451","0.0019","13.6451","0.0019","17.203","0.003","90","","90","","120","","2773.9","0.7","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C36 H90 Fe6 N6 O27 -","- C36 H72 Fe6 N6 O27 -","- C72 H144 Fe12 N12 O54 -","2","0.166667","","Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze","Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand","CrystEngComm","2014","16","24","5212","","10.1039/c3ce42381f","","","0.71073","MoKα","","0.0674","0.0593","","","0.1388","0.1427","","","","","","1.189","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7221481","5.567712","","5.567712","","22.01526","","90","","90","","120","","591.028","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Zn0.5 Ti3.5 O15","","- La5 O15 Ti3.5 Zn0.5 -","- La5 O15 Ti3.5 Zn0.5 -","- La10 O30 Ti7 Zn -","2","0.166667","","Kuang, X.; Allix, M.M.B.; Rosseinsky, M.J.; Niu, H.J.; Claridge, J.B.; Iddles, D.M.; Ibberson, R.M.","Crstal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","151170","2020-10-21","18:00:00",""
"7221482","5.563013","","5.563013","","21.98238","","90","","90","","120","","589.149","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Mg0.5 Ti3.5 O15","","- La5 Mg0.5 O15 Ti3.5 -","- La5 Mg0.5 O15 Ti3.5 -","- La10 Mg O30 Ti7 -","2","0.166667","","Kuang, X.; Allix, M.M.B.; Claridge, J.B.; Ibberson, R.M.; Rosseinsky, M.J.; Niu, H.J.; Iddles, D.M.","Crstal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","151171","2020-10-21","18:00:00",""
"7221483","5.545747","","5.545747","","21.95905","","90","","90","","120","","584.877","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Ga Ti3 O15","","- Ga La5 O15 Ti3 -","- Ga1.006 La5 O15 Ti3 -","- Ga2.012 La10 O30 Ti6 -","2","0.166667","","Kuang, X.; Niu, H.J.; Allix, M.M.B.; Claridge, J.B.; Rosseinsky, M.J.; Iddles, D.M.; Ibberson, R.M.","Crstal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221484","5.519616","","5.519616","","21.97003","","90","","90","","120","","579.668","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Al Ti3 O15","","- Al La5 O15 Ti3 -","- Al La5 O15 Ti3 -","- Al2 La10 O30 Ti6 -","2","0.166667","","Kuang, X.; Allix, M.M.B.; Iddles, D.M.; Claridge, J.B.; Niu, H.J.; Rosseinsky, M.J.; Ibberson, R.M.","Crystal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221932","23.994","0.006","23.994","0.006","11.648","0.005","90","","90","","120","","5807","3","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C202 H166 Cl30 N12 O24 S24 -","- C202 H156 Cl30 N12 O24 S24 -","- C202 H156 Cl30 N12 O24 S24 -","1","0.0833333","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.2083","0.1262","","","0.3612","0.4332","","","","","","1.375","","","","has coordinates","171094","2020-10-21","18:00:00",""
"7225180","31.9258","0.0011","31.9258","0.0011","20.7484","0.0015","90","","90","","120","","18314.7","1.6","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C12 H97 Fe2 N8 O105 P2 Sm W20 -","- C4 Fe2 O80 P2 Sm W20 -","- C24 Fe12 O480 P12 Sm6 W120 -","6","0.5","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1255","0.0729","","","0.1463","0.1572","","","","","","1.014","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225181","31.9128","0.001","31.9128","0.001","20.7587","0.0009","90","","90","","120","","18308.8","1.1","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C12 H89 Fe2 N8 O101 P2 Tb W20 -","- C8 Fe2 N4 O94.6667 P2 Tb W20 -","- C48 Fe12 N24 O568 P12 Tb6 W120 -","6","0.5","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1124","0.0653","","","0.1512","0.1675","","","","","","1.046","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7227187","23.6201","0.0004","23.6201","0.0004","13.6105","0.0003","90","","90","","120","","6576.1","0.2","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C172 H304 Cu12 N48 O150 -","- C172 H124 Cu12 N36 O48 -","- C172 H124 Cu12 N36 O48 -","1","0.0833333","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0361","0.034","","","0.0938","0.0958","","","","","","1.088","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227315","17.694","0.003","17.694","0.003","21.24","0.004","90","","90","","120","","5758.9","1.8","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 N24 O24 Y2 -","- C72 H60 N24 O24 Y2 -","- C144 H120 N48 O48 Y4 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic‒inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.1401","0.1039","","","0.2891","0.3213","","","","","","1.009","","","","has coordinates","191555","2020-10-21","18:00:00",""
"7227316","17.786","0.003","17.786","0.003","21.419","0.004","90","","90","","120","","5867.9","1.8","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 Er2 N24 O24 -","- C72 H60 Er2 N24 O24 -","- C144 H120 Er4 N48 O48 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic–inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.067","0.0594","","","0.1996","0.2076","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227317","17.788","0.003","17.788","0.003","21.332","0.004","90","","90","","120","","5845.4","1.8","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 N24 O24 Tb2 -","- C72 H60 N24 O24 Tb2 -","- C144 H120 N48 O48 Tb4 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic–inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.0645","0.0605","","","0.1654","0.169","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227885","18.62","0.003","18.62","0.003","18.075","0.003","90","","90","","120","","5427.1","1.5","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C121 H132 Cl6 N12 O15 -","- C121 H132 Cl6 N12 O15 -","- C242 H264 Cl12 N24 O30 -","2","0.166667","","Sathiyashivan, Shankar Deval; Kumar, Chakka Kiran; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Masram, Dhanraj T.","Perfect symmetrical cyclic aromatic trimer motif in tripodal molecule","RSC Adv.","2017","7","28","17297","","10.1039/C7RA01682D","","","0.71073","MoKα","","0.1227","0.0803","","","0.2021","0.2281","","","","","","1.082","","","","has coordinates","194383","2020-10-21","18:00:00",""
"7231365","10.0029","0.0012","10.0029","0.0012","13.0457","0.0016","90","","90","","120","","1130.4","0.2","120","2","120","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","beta-sodium uranium(IV) pentafluoride","beta-sodium pentafluorouranate","","- F5 Na U -","- F15 Na2.9999 U3 -","- F60 Na11.9996 U12 -","4","0.333333","","Chemey, Alexander T.; Sperling, Joseph M.; Albrecht-Schmitt, Thomas E.","Expanding pentafluorouranates: hydrothermal synthesis and characterization of β-NaUF5 and β-NaUF5·H2O","RSC Advances","2018","8","50","28642","","10.1039/C8RA05780J","","","0.71073","MoKα","","0.0215","0.02","","","0.0378","0.0382","","","","","","1.353","","","","has coordinates","209663","2020-10-21","18:00:00",""
"7232568","14.482","0.0008","14.482","0.0008","21.7912","0.0009","90","","90","","120","","3957.9","0.3","293","2","","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C78 H48 Fe2 N18 Na2 O30 -","- C78 H48 Fe2 N18 Na2 O30 -","- C156 H96 Fe4 N36 Na4 O60 -","2","0.166667","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54184","CuKα","","0.0848","0.0717","","","","0.2312","","","","","","1.069","","","","has coordinates,has disorder","223687","2020-10-21","18:00:00",""
"7235135","15.2896","0.0002","15.2896","0.0002","15.6713","0.0004","90","","90","","120","","3172.69","0.1","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C66 H48 Ir2 N6 O19 W6 -","- C66 H48 Ir2 N6 O19 W6 -","- C132 H96 Ir4 N12 O38 W12 -","2","0.166667","","P. Bolle; H. Serier-Brault; R. Genois; E. Faulques; A. Boulmier; O. Oms; M. Lepeltier; J. Marrot; A. Dolbecq; P. Mialane; R. Dessapt","Drastic solid-state luminescence color tuning of an archetypal Ir(iii) complex using polyoxometalates and its application as a vapoluminescence chemosensor","Journal of Materials Chemistry C","2016","4","","11392","11395","10.1039/C6TC04341K","","","0.71073","MoKα","","0.0453","0.0361","","","0.0982","0.1046","","","","","","1.115","","","","has coordinates","227880","2020-10-21","18:00:00",""
"7237120","11.061","0.005","11.061","0.005","14.622","0.005","90","","90","","120","","1549.3","1.1","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) copper(II) diperchlorate","tris(1,1-ditetrazolylpropane) copper(II) diperchlorate","","- C15 H24 Cl2 Cu N24 O8 -","- C15 H24 Cl2 Cu N24 O8 -","- C30 H48 Cl4 Cu2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.0452","0.0329","","","0.0822","0.0927","","","","","","1.099","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237123","11.1661","0.0002","11.1661","0.0002","14.7523","0.0004","90","","90","","120","","1592.92","0.06","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) manganese(II) diperchlorate","tris(1,1-ditetrazolylpropane) manganese(II) diperchlorate","","- C15 H24 Cl2 Mn N24 O8 -","- C15 H24 Cl2 Mn N24 O8 -","- C30 H48 Cl4 Mn2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0332","0.0292","","","0.0782","0.0825","","","","","","1.083","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237124","11.0824","0.0003","11.0824","0.0003","14.7279","0.0008","90","","90","","120","","1566.53","0.1","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) zinc(II) diperchlorate","tris(1,1-ditetrazolylpropane) zinc(II) diperchlorate'","","- C15 H24 Cl2 N24 O8 Zn -","- C15 H24 Cl2 N24 O8 Zn -","- C30 H48 Cl4 N48 O16 Zn2 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0744","0.0397","","","0.0881","0.105","","","","","","1.023","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237129","11.085","0.005","11.085","0.005","14.554","0.005","90","0.005","90","0.005","120","0.005","1548.8","1.1","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris-1,3(ditetrazol-1-yl)propane cobalt(II) diperchlorate","tris(1,3-ditetrazol-1-yl)propane cobalt(II) diperchlorate","","- C15 H24 Cl2 Co N24 O8 -","- C15 H24 Cl2 Co N24 O8 -","- C30 H48 Cl4 Co2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","","0.71069","MoKα","","0.0351","0.0309","","","0.0772","0.0823","","","","","","1.091","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237130","10.945","0.0004","10.945","0.0004","14.517","0.0005","90","","90","","120","","1506.05","0.09","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) iron(II) perchlorate","tris(1,1-ditetrazolylpropane) iron(II) perchlorate","","- C15 H24 Cl2 Fe N24 O8 -","- C15 H24 Cl2 Fe N24 O8 -","- C30 H48 Cl4 Fe2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.038","0.0304","","","0.0764","0.0802","","","","","","1.073","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237562","17.712","0.003","17.712","0.003","17.804","0.004","90","","90","","120","","4837.1","1.6","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","Tris[2-(4-(4-bromophenyl)-2-quinolinyl)-3-thienyl-]iridium (III)","Tris[2-(4-(4-bromophenyl)-2-quinolinyl)-3-thienyl-]iridium (III)","","- C57 H33 Br3 Ir N3 O0.17 S3 -","- C57 H33 Br3 Ir N3 O0.1667 S3 -","- C228 H132 Br12 Ir4 N12 O0.6668 S12 -","4","0.333333","","Russell, Steven M.; Brewer, Anthony M.; Stoltzfus, Dani M.; Saghaei, Jaber; Burn, Paul L.","Organic light-emitting diodes comprising highly luminescent red-emitting dendrimers with carbazole-based dendrons","Journal of Materials Chemistry C","2019","7","16","4681","","10.1039/C8TC05703F","","","0.7108","synchrotron","","0.0595","0.0468","","","0.1277","0.1371","","","","","","1.042","","","","has coordinates","237773","2020-10-21","18:00:00",""
"7238353","16.1001","0.0006","16.1001","0.0006","40.628","0.003","90","","90","","120","","9120.4","0.8","273","2","273","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C60 H48 N2 O15 Zn3 -","- C59.88 H41.88 N1.99333 O12 Zn3 -","- C359.28 H251.28 N11.96 O72 Zn18 -","6","0.5","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.1392","0.0537","","","0.1416","0.1616","","","","","","0.867","","","","has coordinates,has disorder","244126","2020-10-21","18:00:00",""
"7238422","19.6106","0.0004","19.6106","0.0004","31.5616","0.0008","90","","90","","120","","10511.7","0.4","150","","150","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C96 H131 N9 O40 S2 -","- C96 H131 N9 O39.5552 S2 -","- C384 H524 N36 O158.221 S8 -","4","0.333333","","Evans, Nicholas H.; Allinson, Emma S. H.; Lankshear, Michael D.; Ng, Ka-Yuen; Cowley, Andrew R.; Serpell, Christopher J.; Santos, Sérgio M.; Costa, Paulo J.; Félix, Vítor; Beer, Paul D.","Anion templated assembly of [2]catenanes capable of chloride anion recognition in aqueous solvent media","RSC Advances","2011","1","6","995","","10.1039/c1ra00394a","","","0.6889","Synchrotron","","0.1488","0.1447","","0.3538","0.3511","0.3538","","","","","","0.979","","","","has coordinates,has disorder","244167","2020-10-21","18:00:00",""
"7242496","22.8904","0.0007","22.8904","0.0007","27.7745","0.0009","90","","90","","120","","12603.3","0.7","150","2","150.02","","","","","","","","","9","P -3 c 1","-P 3 2""c","165","","","","- C114 H140 B8 Cu6 Fe3 N36 O26 S8 W2 -","- C114 H140 B8 Cu6 Fe3 N36 O26 S8 W2 -","- C228 H280 B16 Cu12 Fe6 N72 O52 S16 W4 -","2","0.166667","","Li, Jie; Tan, Yi; Cao, Chen; Wang, Zhi-Kang; Niu, Zheng; Song, Ying-Lin; Lang, Jian-Ping","One-dimensional and two-dimensional coordination polymers from cluster modular construction","CrystEngComm","2021","23","17","3160","3166","10.1039/D1CE00206F","","","0.71073","MoKα","","0.1048","0.0689","","","0.2023","0.2535","","","","","","1.172","","","","has coordinates,has disorder","265947","2021-06-05","18:08:41",""
"7246790","19.756","0.0004","19.756","0.0004","20.2456","0.0004","90","","90","","120","","6843.2","0.2","93","2","93","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","[Cu(PPh2Et)2bcp(PF6)]","","- C27 H23 Cu0.5 F3 N P1.5 -","- C27 H23 Cu0.5 F3 N P1.5 -","- C324 H276 Cu6 F36 N12 P18 -","12","1","","Sanga, Masashi; Nakamura, Kosuke; Iwamura, Munetaka; Nozaki, Koichi; Takeda, Hiroyuki; Monma, Yu; Ishitani, Osamu","Structural change dynamics of heteroleptic Cu(I) complexes observed by ultrafast emission spectroscopy.","Physical chemistry chemical physics : PCCP","2023","25","23","15873","15884","10.1039/d3cp01473h","","","1.54184","CuKα","","0.0409","0.0395","","","0.1003","0.1012","","","","","","1.105","","","","has coordinates","284978","2023-07-05","11:03:12",""
"7247932","10.3592","0.0002","10.3592","0.0002","20.7675","0.0008","90","","90","","120","","1930.04","0.09","243","2","243","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C6 H9 K5 N10 O6 -","- C6 H9 K5 N10.0005 O6 -","- C24 H36 K20 N40.002 O24 -","4","0.333333","","Jiang, Shuaijie; Zhou, Jianxin; Xu, Yuangang; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Regulation of the structure and density of KN5 frameworks with CH3COOK and CF3COOK","CrystEngComm","2024","26","7","951","956","10.1039/D3CE01210G","","","0.71073","MoKα","","0.0353","0.0267","","","0.0573","0.0621","","","","","","1.136","","","","has coordinates,has disorder","290149","2024-03-04","20:08:26",""
"7250376","14.064","0.002","14.064","0.002","23.056","0.005","90","","90","","120","","3949.4","1.2","150","0.1","150","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","2-fur-Zn7.3H2O","2-fur-Zn7","","- C65 H88 N8 O29 Zn7 -","- C60 H78 N8 O24 Zn7 -","- C120 H156 N16 O48 Zn14 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0836","0.0582","","","0.1528","0.1656","","","","","","1.055","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250377","14.1","0.002","14.1","0.002","22.702","0.005","90","","90","","120","","3908.7","1.2","149.9","0.1","149.9","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[2-Fur-Co7].3H2O","2-Fur-Co7","","- C59 H76 Co7 N8 O29 -","- C54 H66 Co7 N8 O24 -","- C108 H132 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0954","0.0777","","","0.2159","0.2313","","","","","","1.071","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250378","13.8241","0.0001","13.8241","0.0001","23.4073","0.0004","90","","90","","120","","3873.96","0.08","100","0.2","100","0.2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[Cou-Ni7].3H2O","Coumarin-Ni7","","- C63 H78 N8 Ni7 O29 -","- C54 H66 N8 Ni7 O24 -","- C108 H132 N16 Ni14 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0603","0.0575","","","0.1884","0.1923","","","","","","1.132","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250379","13.8183","0.0005","13.8183","0.0005","23.1848","0.0014","90","","90","","120","","3833.9","0.3","150.1","0.1","150.1","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[3-fur-Ni7].3H2O","3-Fur-Ni7","","- C59 H76 N8 Ni7 O29 -","- C54 H66 N8 Ni7 O24 -","- C108 H132 N16 Ni14 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.099","0.0793","","","0.2261","0.2398","","","","","","1.125","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250380","14.098","0.002","14.098","0.002","22.706","0.005","90","","90","","120","","3908.3","1.2","150","0.1","150","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[3-fur-Co7].4.5H2O","3-Fur-Co7","","- C59 H79 Co7 N8 O30.5 -","- C54 H66 Co7 N8 O24 -","- C108 H132 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.1275","0.0936","","","0.2519","0.2778","","","","","","1.089","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250381","14.01","","14.01","","23.002","","90","","90","","120","","3909.96","","173","0.2","173","0.2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Bzal-Zn7.5H2O","","","- C67 H82 N8 O30 Zn7 -","- C60 H78 N8 O24 Zn7 -","- C120 H156 N16 O48 Zn14 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.6889","synchrotron","","0.0432","0.0416","","","0.136","0.1373","","","","","","1.069","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250382","14.1434","0.0001","14.1434","0.0001","22.9392","0.0002","90","","90","","120","","3973.9","0.05","100","0.1","100","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[Ap-Co7].7H2O","AP-Co7","","- C68 H100 Co7 N8 O32 -","- C60 H78 Co7 N8 O24 -","- C120 H156 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0743","0.0719","","","0.2024","0.2042","","","","","","1.22","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250383","14.0528","0.0001","14.0528","0.0001","23.008","0.0002","90","","90","","120","","3934.91","0.05","100","0.1","100","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[2-AF-Co7].7H2O","AF-Co7","","- C66 H98 Co7 N8 O33 -","- C60 H78 Co7 N8 O24 -","- C120 H156 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0644","0.0635","","","0.1781","0.179","","","","","","1.186","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250384","13.8113","0.0001","13.8113","0.0001","23.2351","0.0001","90","","90","","120","","3838.35","0.04","100","2","100.15","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","AF-Ni7","","- C60 H78 N8 Ni7 O24 -","- C60 H78 N8 Ni7.00002 O24 -","- C120 H156 N16 Ni14 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0753","0.0747","","","0.2238","0.2246","","","","","","1.0266","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7702980","15.9799","0.001","15.9799","0.001","15.7925","0.0009","90","","90","","120","","3492.4","0.4","173","2","173","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C45 H39 N7 -","- C45 H39 N7 -","- C180 H156 N28 -","4","0.333333","","Welsh, Athi; Rylands, Laa-Iqa; Arion, Vladimir B.; Prince, Sharon; Smith, Gregory S.","Synthesis and antiproliferative activity of benzimidazole-based, trinuclear neutral cyclometallated and cationic, N<sup>^</sup>N-chelated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1143","1156","10.1039/c9dt03902c","","","0.71073","MoKα","","0.0515","0.0391","","","0.093","0.1016","","","","","","1.031","","","","has coordinates","301878","2025-08-22","23:10:57",""
"7704054","9.6715","0.0002","9.6715","0.0002","12.7479","0.0003","90","","90","","120","","1032.66","0.04","303","2","303","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Al Ce6 F30 Na3 -","- Al Ce6 F30 Na3 -","- Al2 Ce12 F60 Na6 -","2","0.166667","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0098","0.0097","","","0.028","0.0281","","","","","","1.082","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704055","9.7142","0.0003","9.7142","0.0003","12.798","0.0005","90","","90","","120","","1045.89","0.06","300","2","300.02","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Ce6 Cr F30 Na3 -","- Ce6 Cr F30 Na3 -","- Ce12 Cr2 F60 Na6 -","2","0.166667","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0168","0.0141","","","0.0291","0.0299","","","","","","1.187","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704056","9.7126","0.0003","9.7126","0.0003","12.7972","0.0004","90","","90","","120","","1045.48","0.06","300","2","300","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Ce6 F30 Ga Na3 -","- Ce6 F30 Ga Na3 -","- Ce12 F60 Ga2 Na6 -","2","0.166667","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0113","0.0112","","","0.0245","0.0246","","","","","","1.058","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704057","9.7288","0.0002","9.7288","0.0002","12.8247","0.0003","90","","90","","120","","1051.23","0.04","300","2","300.02","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Ce6 F30 Fe Na3 -","- Ce6 F30 Fe Na3 -","- Ce12 F60 Fe2 Na6 -","2","0.166667","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0091","0.009","","","0.0206","0.0206","","","","","","1.156","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704980","14.2957","0.0002","14.2957","0.0002","17.8833","0.0002","90","","90","","120","","3165.11","0.07","130","2","130","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C27 H42 Br0.18 Cl1.82 Cu2 N3 O3 P3 -","- C27 H42.0001 Br0.181 Cl1.8189 Cu2 N3 O3.0001 P3 -","- C108 H168 Br0.724 Cl7.2756 Cu8 N12 O12.0004 P12 -","4","0.333333","","Shamsieva, Aliia V.; Musina, Elvira I.; Gerasimova, Tatiana P.; Strelnik, Igor D.; Strelnik, Anna G.; Kolesnikov, Ilya E.; Kalinichev, Alexey A.; Islamov, Daut R.; Samigullina, Aida I.; Lönnecke, Peter; Katsyuba, Sergey A.; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11997","12008","10.1039/d0dt01843k","","","0.71073","MoKα","","0.0714","0.0449","","","0.1165","0.1304","","","","","","1.026","","","","has coordinates,has disorder","256102","2020-10-21","18:00:00",""
"7706243","30.5392","0.0007","30.5392","0.0007","13.0003","0.0004","90","","90","","120","","10500.2","0.5","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C20 H8 N2 O8 Tb -","- C20 H8 N2 O8 Tb -","- C240 H96 N24 O96 Tb12 -","12","1","","Lin, Zeng-Gang; Song, Fu-Qiang; Wang, Hui; Song, Xue-Qin; Yu, Xin-Xin; Liu, Wei-Sheng","The construction of a novel luminescent lanthanide framework for the selective sensing of Cu<sup>2+</sup> and 4-nitrophenol in water.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1874","1886","10.1039/d0dt04089d","","","1.54184","CuKα","","0.0586","0.045","","","0.116","0.1234","","","","","","1.044","","","","has coordinates,has disorder","262617","2021-03-05","01:58:00",""
"7706244","30.8375","0.0008","30.8375","0.0008","12.9766","0.0005","90","","90","","120","","10686.9","0.6","100","2","99.98","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C20 H6 Eu N2 O8 -","- C20 H6 Eu N2 O8 -","- C240 H72 Eu12 N24 O96 -","12","1","","Lin, Zeng-Gang; Song, Fu-Qiang; Wang, Hui; Song, Xue-Qin; Yu, Xin-Xin; Liu, Wei-Sheng","The construction of a novel luminescent lanthanide framework for the selective sensing of Cu<sup>2+</sup> and 4-nitrophenol in water.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1874","1886","10.1039/d0dt04089d","","","0.71073","MoKα","","0.0685","0.0675","","","0.1872","0.1879","","","","","","1.042","","","","has coordinates","262617","2021-03-05","01:58:00",""
"7706335","10.1894","0.0003","10.1894","0.0003","20.0955","0.001","90","","90","","120","","1806.87","0.12","180","0.1","180","0.1","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C36 H30 Cl2 N12 O8 Zn -","- C36 H30 Cl2 N12 O8 Zn -","- C72 H60 Cl4 N24 O16 Zn2 -","2","0.166667","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0708","0.0658","","","0.1578","0.1609","","","","","","1.125","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7708698","13.4726","0.0008","13.4726","0.0008","16.6266","0.0012","90","","90","","120","","2613.6","0.3","120.03","","120.03","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C H0.05 Mn N S Sb -","- H2.28571 Mn0.47619 N1.14286 S1.42857 Sb0.571429 -","- H48 Mn10 N24 S30 Sb12 -","21","1.75","","Sun, Peipei; Wu, Jin; Wang, Zhiqiang; Wang, Xiang; Chen, Ning; Wu, Tao","A pillar-layered chalcogenide framework assembled by [Mn5S12N12]n layers and [Sb2S5] inorganic pillars","Dalton Transactions","2021","","","","","10.1039/D1DT02838C","","","0.71073","MoKα","","0.0668","0.0479","","","0.1131","0.1255","","","","","","1.025","","","","has coordinates","270278","2021-11-04","00:00:45",""
"7709227","18.2","0.003","18.2","0.003","16.17","0.003","90","","90","","120","","4638.6","1.4","98","2","98","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C33 Fe N6 O12 -","- C33 Fe N6 O12 -","- C132 Fe4 N24 O48 -","4","0.333333","","Zhu, Jie; Samperisi, Laura; Kalaj, Mark; Chiong, Jerika A.; Bailey, Jake B.; Zhang, Zhiyin; Yu, Chung-Jui; Sikma, R. Eric; Zou, Xiaodong; Cohen, Seth M.; Huang, Zhehao; Tezcan, F. Akif","Metal-hydrogen-pi-bonded organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1927","1935","10.1039/d1dt04278e","","","0.0251","electrons","","0.3285","0.2092","","","0.4527","0.5176","","","","","","1.324","","","","has coordinates","272676","2022-02-04","19:40:59",""
"7709228","18.2","0.003","18.2","0.003","16.17","0.003","90","","90","","120","","4638.6","1.4","98","2","98","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C11 Fe0.17 Ga0.17 N2 O4 -","- C11 Fe0.166667 Ga0.166667 N2 O4 -","- C132 Fe2 Ga2 N24 O48 -","12","1","","Zhu, Jie; Samperisi, Laura; Kalaj, Mark; Chiong, Jerika A.; Bailey, Jake B.; Zhang, Zhiyin; Yu, Chung-Jui; Sikma, R. Eric; Zou, Xiaodong; Cohen, Seth M.; Huang, Zhehao; Tezcan, F. Akif","Metal-hydrogen-pi-bonded organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1927","1935","10.1039/d1dt04278e","","","0.0251","electrons","","0.3547","0.2025","","","0.451","0.5265","","","","","","1.219","","","","has coordinates","272676","2022-02-04","19:41:00",""
"7710003","15.6935","0.0005","15.6935","0.0005","9.5255","0.0004","90","","90","","120","","2031.69","0.13","150","0.1","150","0.1","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C6 H24 Mn N6 O4 S -","- C6 H24 Mn N6 O4 S -","- C36 H144 Mn6 N36 O24 S6 -","6","0.5","","Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun","A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion","Dalton Transactions","2022","","","","","10.1039/D2DT00506A","","x-ray","0.71073","MoKα","","0.0697","0.0544","","","0.1548","0.1669","","","","","","1.108","","","","has coordinates","274465","2022-04-11","23:22:11",""
"7711448","13.4684","0.0016","13.4684","0.0016","13.0934","0.0016","90","","90","","120","","2056.9","0.4","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C15 H32 Co N3 O10 -","- C15 H32 Co N3 O10 -","- C60 H128 Co4 N12 O40 -","4","0.333333","","Lan, Bi-Liu; Luo, Ai-Yi; Shao, Bing; Gao, Li-Na; Wei, Qin; Liang, Yu-Ning; Huang, Jin; Zhang, Zhong","Structural evolution from preorganized mononuclear triazamacrocyclic metalloligands to polynuclear metallocages and heterometallic 2D layers: modular architectures, assembly tracking and magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02186B","","","0.71073","MoKα","","0.0656","0.0357","","","0.0754","0.0824","","","","","","1.012","","","","has coordinates","278495","2022-10-07","22:56:05",""
"7713064","36.4236","0.0005","36.4236","0.0005","19.1203","0.0003","90","","90","","120","","21968","0.5","150","0.1","150","0.1","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C93 H163 Cr8 F11 N2 O34 Zn -","- C91 H163 Cr8 F11 N4 O34 Zn -","- C546 H978 Cr48 F66 N24 O204 Zn6 -","6","0.5","","Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P.","Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00982c","","x-ray","1.54184","CuKα","","0.211","0.1326","","","0.2866","0.3416","","","","","","1.045","","","","has coordinates,has disorder","283840","2023-05-17","23:02:00",""
"7713293","13.0069","0.0003","13.0069","0.0003","25.8322","0.0008","90","","90","","120","","3784.77","0.17","150","2","150","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Triscarborane_trimehtylphosphine_triethylsilane","","- C15 H58 B31 P Si -","- C15 H58 B31 P Si -","- C60 H232 B124 P4 Si4 -","4","0.333333","","Vashisth, Kanika; Dutta, Sanjay; Akram, Manjur O.; Martin, Caleb D.","Examining the reactivity of tris(<i>ortho</i>-carboranyl)borane with Lewis bases and application in frustrated Lewis pair Si-H bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01557b","","","0.71073","MoKα","","0.0752","0.055","","","0.1373","0.1666","","","","","","1.154","","","","has coordinates","284624","2023-06-29","11:03:54",""
"7713416","19.9491","0.0005","19.9491","0.0005","8.8324","0.0003","90","","90","","120","","3044.08","0.15","100","","100","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C21 H15 N2 O5 Pt -","- C21 H15 N2 O5 Pt -","- C126 H90 N12 O30 Pt6 -","6","0.5","","Fjii, Shun; Yagi, Hajime; Kawaguchi, Tomohiro; Ishikawa, Mitsuru; Izumiyama, Naoki; Nakaya, Manabu","pH-driven optical changes of platinum(II) complexes having carboxy-appended salophen ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00956D","","","0.71073","MoKα","","0.0595","0.0393","","","0.0935","0.109","","","","","","1.065","","","","has coordinates,has disorder","285090","2023-07-07","22:53:33",""
"7714747","23.0541","0.0003","23.0541","0.0003","23.7591","0.0004","90","","90","","120","","10936","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C65 H62 Ag3 F18 N19 P3 -","- C65 H62 Ag3 F18 N19 P3 -","- C390 H372 Ag18 F108 N114 P18 -","6","0.5","","Sahu, Priyanka; Jana, Narayan Ch; Barik, Sahadev; Kisan, Hemanta K.; Changotra, Avtar; Isab, Anvarhusein A.; Dinda, Joydev","Unexpected structural preference with metallophilic Ag-Au contacts in silver(I)-N-heterocyclic carbene cluster; experimental and theoretical approach.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1099","1104","10.1039/d3dt02551a","","x-ray","0.71073","MoKα","","0.0413","0.0324","","","0.076","0.0813","","","","","","1.023","","","","has coordinates","289553","2024-02-04","12:11:55",""
"7717470","13.4603","0.0009","13.4603","0.0009","10.2309","0.0008","90","","90","","120","","1605.3","0.2","123","0.1","123","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Iron tris-N-benzyl-N-phenylhydroxamate","","- C6.5 H5 Fe0.17 N0.5 O -","- C6.5 H5 Fe0.166667 N0.5 O -","- C78 H60 Fe2 N6 O12 -","12","1","","Duffin, Rebekah N.; Kelderman, Jenisi T. A.; Herdman, Megan E.; Andrews, Philip C.","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant <i>Klebsiella pneumoniae</i>.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","649","661","10.1039/d4dt02440k","","x-ray","0.71073","MoKα","","0.1012","0.0838","","","0.2249","0.2421","","","","","","1.071","","","","has coordinates,has disorder","298884","2025-04-05","02:56:23",""
"7717471","13.3905","0.0002","13.3905","0.0002","10.3009","0.0003","90","","90","","120","","1599.56","0.06","123","2","123","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Gallium tris-N-benzyl-N-phenylhydroxamate","","- C39 H30 Ga N3 O6 -","- C39 H30 Ga N3 O6 -","- C78 H60 Ga2 N6 O12 -","2","0.166667","","Duffin, Rebekah N.; Kelderman, Jenisi T. A.; Herdman, Megan E.; Andrews, Philip C.","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant <i>Klebsiella pneumoniae</i>.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","649","661","10.1039/d4dt02440k","","","1.54184","CuKα","","0.0552","0.0532","","","0.1493","0.1512","","","","","","1.067","","","","has coordinates,has disorder","298884","2025-04-05","02:56:24",""
"7718279","10.6119","0.0005","10.6119","0.0005","16.8356","0.0008","90","","90","","120","","1641.9","0.13","120.15","","120.15","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 P2 Ru -","- C30 H24 F12 N6 P2 Ru -","- C60 H48 F24 N12 P4 Ru2 -","2","0.166667","","Sarma, Kavisha A.; Middleton, Isis A.; Chak, Man Him; Violi, Jake P.; Bhadbhade, Mohan; Donald, William A.; Beves, Jonathon E.","Ruthenium(II) complexes with photoswitchable and photoejectable ligands.","Dalton transactions (Cambridge, England : 2003)","2025","54","12","4871","4875","10.1039/d5dt00320b","","","0.71073","MoKα","","0.0886","0.0725","","","0.1857","0.2146","","","","","","1.041","","","","has coordinates","300988","2025-07-06","17:14:09",""
"8101224","5.666","0.001","5.666","0.001","22.968","0.005","90","","90","","120","","638.6","0.2","293","2","293","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- Nb4 O15 Sr5 -","- Nb4 O15 Sr5 -","- Nb8 O30 Sr10 -","2","0.166667","","Teneze, Nicolas; Mercurio, Danièle; Trolliard, Gilles; Champarnaud-Mesjard, Jean Claude","Reinvestigation of the crystal structure of pentastrontium tetraniobate, Sr~5~Nb~4~O~15~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","11","12","","","","","","","","0.0441","","","0.124","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101312","10.935","0.002","10.935","0.002","9.191","0.002","90","","90","","120","","951.8","0.3","293","2","293","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","aluminium cyclononaphosphate","","","- Al3 O27 P9 -","- Al0.75 O6.75 P2.25 -","- Al6 O54 P18 -","8","0.666667","","Fratzky, Dietmar; Scheneider, Matthias; Meisel, Manfred","Crystal structure of aluminium cyclononaphosphate, Al~3~P~9~O~27~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","341","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8104253","6.992","","6.992","","7.17","","90","","90","","120","","303.566","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","","","- Cu3 P -","- Cu3 P -","- Cu18 P6 -","6","0.5","","Mansmann, M.","Ueber Verbindungen vom Anti-La F3-Strukturtyp","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1965","122","","399","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104254","7.143","","7.143","","7.324","","90","","90","","120","","323.624","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","Cu3 As","","- As Cu3 -","- As Cu3 -","- As6 Cu18 -","6","0.5","","Mansmann, M.","Ueber Verbindungen vom Anti-LaF3-Strukturtyp","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1965","122","","399","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9001625","9.4643","","9.4643","","27.336","","90","","90","","120","","2120.52","","","","","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","Fuenzalidaite","- H12 I6 K3.56 Mg5 Na4.44 O48 S6 -","- H12 I6 K3.56 Mg5 Na4.44 O48 S6 -","- H24 I12 K7.12 Mg10 Na8.88 O96 S12 -","2","0.166667","","Konnert, J. A.; Evans, H. T.; McGee, J. J.; Ericksen, G. E.","Mineralogical studies of the nitrate deposits of Chile: VII. Two saline minerals with the composition K6(Na,K)4Na6Mg10(XO4)12(IO3)12.12H2O: Fuenzalidaite (X=S) and carloruizite (X=Se)","American Mineralogist","1994","79","","1003","1008","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001626","9.5901","","9.5901","","27.56","","90","","90","","120","","2195.11","","","","","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","Carlosruizite","- H12 I6 K3.64 Mg5 Na4.36 O48 Se6 -","- H12 I6 K3.64 Mg5 Na4.36 O48 Se6 -","- H24 I12 K7.28 Mg10 Na8.72 O96 Se12 -","2","0.166667","","Konnert, J. A.; Evans, H. T.; McGee, J. J.; Ericksen, G. E.","Mineralogical studies of the nitrate deposits of Chile: VII. Two saline minerals with the composition K6(Na,K)4Na6Mg10(XO4)12(IO3)12.12H2O: Fuenzalidaite (X=S) and carlosruizite (X=Se)","American Mineralogist","1994","79","","1003","1008","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:34",""
"9001664","9.777","","9.777","","33.293","","90","","90","","120","","2756.1","","","","","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","Minehillite","- Al2 Ca14 H8 K0.948 O64 Si20 Zn2.406 -","- Al2 Ca14 H8 K0.948 O64 Si20 Zn2.406 -","- Al4 Ca28 H16 K1.896 O128 Si40 Zn4.812 -","2","0.166667","","Dai, Y. S.; Post, J. E.; Appleman, D. E.","Crystal structure of minehillite: Twinning and structural relationships to reyerite","American Mineralogist","1995","80","","173","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9004918","19.72","","19.72","","9.9788","","90","","90","","120","","3360.65","","","","","","","","","","","","Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada","7","P -3 c 1","-P 3 2""c","165","","","Bobtraillite","- B3 H18 Na6.462 O78 Si21 Sr5.496 Zr7 -","- B3 H18 Na6.462 O78 Si21 Sr5.496 Zr7 -","- B6 H36 Na12.924 O156 Si42 Sr10.992 Zr14 -","2","0.166667","","McDonald, A. M.; Chao, G. Y.","Bobtraillite, (Na,Ca)13Sr11(Zr,Y,Nb)14Si42B6O132(OH)12*12H2O, a new mineral species from mont Saint-Hilaire, Quebec: description, structure determination and relationship to benitoite and wadeite","The Canadian Mineralogist","2005","43","","747","758","10.2113/gscanmin.43.2.747","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005696","8.9232","","8.9232","","9.9296","","90","","90","","120","","684.705","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","Parascorodite","- As Fe H4 O6 -","- As Fe H4 O6 -","- As6 Fe6 H24 O36 -","6","0.5","","Perchiazzi, N.; Ondrus, P.; Skala, R.","Ab initio X-ray powder structure determination of parascorodite, Fe(H2O)2AsO4","European Journal of Mineralogy","2004","16","","1003","1007","10.1127/0935-1221/2004/0016-1003","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007527","11.89","","11.89","","12.671","","90","","90","","120","","1551.33","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- H15.479 Na6.335 O32.335 P2 -","- H48 Na6.335 O32.335 P2 -","- H96 Na12.67 O64.67 P4 -","2","0.166667","","Tillmanns, E.; Baur, W. H.","On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts","Acta Crystallographica, Section B","1971","27","","2124","2132","10.1107/S0567740871005454","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007528","12.038","","12.038","","12.833","","90","","90","","120","","1610.53","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- H15.454 Na6.31 O32.31 V2 -","- H48 Na6.31 O32.31 V2 -","- H96 Na12.62 O64.62 V4 -","2","0.166667","","Tillmanns, E.; Baur, W. H.","On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts","Acta Crystallographica, Section B","1971","27","","2124","2132","10.1107/S0567740871005454","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007529","12.017","","12.017","","12.783","","90","","90","","120","","1598.66","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- As2 H15.404 Na6.26 O32.26 -","- As2 H48 Na6.26 O32.26 -","- As4 H96 Na12.52 O64.52 -","2","0.166667","","Tillmanns, E.; Baur, W. H.","On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts","Acta Crystallographica, Section B","1971","27","","2124","2132","10.1107/S0567740871005454","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007898","9.338","","9.338","","12.817","","90","","90","","120","","967.887","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C3 Na4 O11 U -","- C3 Na4 O11 U -","- C12 Na16 O44 U4 -","4","0.333333","","Cisarova, I.; Skala, R.; Ondrus, P.; Drabek, M.","Trigonal Na4[UO2(CO3)3] Note: synthetic polymorph of cejkaite","Acta Crystallographica, Section E","2001","57","","i32","i34","10.1107/S1600536801005992","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008114","7.19","","7.19","","7.367","","90","","90","","120","","329.822","","","","","","","","","","","","Synthetic","2","P -3 c 1","-P 3 2""c","165","","","Fluocerite-(La)","- F3 La -","- F3 La -","- F18 La6 -","6","0.5","","Mansmann, M.","Die kristallstruktur von lanthantrifluorid","Zeitschrift fur Kristallographie","1965","122","","375","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009481","8.318","","8.318","","15.264","","90","","90","","120","","914.612","","","","","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","Asbecasite","- As6 Be2 Ca3 O20 Si2 Ti -","- As6 Be2 Ca3 O20 Si2 Ti -","- As12 Be4 Ca6 O40 Si4 Ti2 -","2","0.166667","","Sacerdoti, M.; Parodi, G. C.; Mottana, A.; Maras, A.; Ventura, G. D.","Asbecasite: crystal structure refinement and crystal chemistry","Mineralogical Magazine","1993","57","","315","322","10.1180/minmag.1993.057.387.14","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9010588","7.242","","7.242","","18.192","","90","","90","","120","","826.282","","","","","","","","","","","","Qaqarssuk, Greenland","5","P -3 c 1","-P 3 2""c","165","","","Qaqarssukite-(Ce)","- C2 Ba Ce F O6 -","- C2 Ba Ce F O6 -","- C12 Ba6 Ce6 F6 O36 -","6","0.5","","Grice, J. D.; Gault, R. A.; Rowe, R.; Johnsen, O.","Qaqarssukite-(Ce), a new barium-cerium fluorcarbonate mineral species from Qaqarssuk, Greenland","The Canadian Mineralogist","2006","44","","1137","1146","10.2113/gscanmin.44.5.1137","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011159","7.185","","7.185","","7.351","","90","","90","","120","","328.648","","","","","","","","","","","","Synthetic","2","P -3 c 1","-P 3 2""c","165","","","Fluocerite-(La)","- F3 La -","- F3 La -","- F18 La6 -","6","0.5","","Cheetham, A. K.; Fender, B. E. F.; Fuess, H.; Wright, A. F.","A powder neutron diffraction study of lanthanum and cerium trifluorides Chem 5 (1966) 1466-1468","Acta Crystallographica, Section B","1976","32","","94","97","10.1107/S0567740876002380","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011160","7.131","","7.131","","7.286","","90","","90","","120","","320.864","","","","","","","","","","","","Synthetic","2","P -3 c 1","-P 3 2""c","165","","","Fluocerite-(Ce)","- Ce F3 -","- Ce F3 -","- Ce6 F18 -","6","0.5","","Cheetham, A. K.; Fender, B. E. F.; Fuess, H.; Wright, A. F.","A powder neutron diffraction study of lanthanum and cerium trifluorides","Acta Crystallographica, Section B","1976","32","","94","97","10.1107/S0567740876002380","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011453","9.303","","9.303","","22.57","","90","","90","","120","","1691.64","","","","","","","","","","","","Langban, Warmland, Sweden","7","P -3 c 1","-P 3 2""c","165","","","Wermlandite","- Al1.14 Ca0.6 Fe0.86 H42 Mg7.4 O38 S2 -","- Al1.14 Ca0.6 Fe0.86 H42 Mg7.4 O38 S2 -","- Al2.28 Ca1.2 Fe1.72 H84 Mg14.8 O76 S4 -","2","0.166667","","Rius, J.; Allmann, R.","The superstructure of the double layer mineral wermlandite [Mg7(Al0.57,Fe3+0.43)2(OH)18]2+[(Ca0.6,Mg0.4)(SO4)2(H2O)12]2-","Zeitschrift fur Kristallographie","1984","168","","133","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011816","9.3417","","9.3417","","12.824","","90","","90","","120","","969.183","","","","","","","","","","","","Synthetic","4","P -3 c 1","-P 3 2""c","165","","","Cejkaite","- C3 Na4 O11 U -","- C3 Na4 O11 U -","- C12 Na16 O44 U4 -","4","0.333333","","Yaping, L.; Krivichev, S. V.; Burns, P. C.","The crystal structure of Na4(UO2)(CO3)3 and its relationship to schrockingerite Locality: synthetic","Mineralogical Magazine","2001","65","","297","304","10.1180/002646101550262","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9016724","26.509","","26.509","","9.975","","90","","90","","120","","6070.58","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","8","P -3 c 1","-P 3 2""c","165","","","Rogermitchellite","- B4.5 Ba2 H31.44 Na7.2 O144.72 Si40.5 Sr10.8 Zr13 -","- B4.5 Ba2 H31.44 Na7.2 O144.72 Si40.5 Sr10.8 Zr13 -","- B9 Ba4 H62.88 Na14.4 O289.44 Si81 Sr21.6 Zr26 -","2","0.166667","","McDonald, A. M.; Chao, G. Y.","Rogermitchellite, Na12(Sr,Na)24Ba4Zr26Si78(B,Si)12O246(OH)24·18H2O, a new mineral species from Mont Saint-Hilaire, Quebec: Description, structure determination and relationship with HFSE-bearing cyclosilicates","The Canadian Mineralogist","2010","48","","267","278","10.3749/canmin.48.2.267","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:35",""
"9017319","7.185","","7.185","","7.351","","90","","90","","120","","328.648","","","","","","","","","","","","Synthetic","2","P -3 c 1","-P 3 2""c","165","","","Fluocerite-(La)","- F3 La -","- F3 La -","- F18 La6 -","6","0.5","","Zalkin, A.; Templeton, D. H.","Refinement of the trigonal structure of lanthanum trifluoride with neutron diffraction data Note: neutron data","Acta Crystallographica, Section B","1985","41","","91","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""