# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-28T08:17:36+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'F m -3' 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
"1008029","10.97","0.02","10.97","0.02","10.97","0.02","90","","90","","90","","1320.1","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Dicaesium lead hexanitrocuprate - $-alpha","","- Cs2 Cu N6 O12 Pb -","- Cs2 Cu N6 O12 Pb -","- Cs8 Cu4 N24 O48 Pb4 -","4","0.0416667","","Klein, S; Reinen, D","The structure of the high temperature $-alpha modification of Cs~2~ Pb Cu (N O~2~)~6~ and the Jahn-Teller induced $-alpha $-beta phase transition - a neutron diffraction study","Journal of Solid State Chemistry","1978","25","","295","299","10.1016/0022-4596(78)90114-7","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010072","10.46","","10.46","","10.46","","90","","90","","90","","1144.4","","","","","","","","","","","","","3","F m -3","-F 2 2 3","202","","Caesium gold chloride (2/1/3)","","- Au2 Cl6 Cs2 -","- Au2 Cl6 Cs2 -","- Au8 Cl24 Cs8 -","4","0.0416667","","Ferrari, A","Sugli esacloroaurati misti","Gazzetta Chimica Italiana","1937","67","","94","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010135","9.04","0.01","9.04","0.01","9.04","0.01","90","","90","","90","","738.8","","","","","","","","","","","","","4","F m -3","-F 2 2 3","202","","Ammonium hexafluorovanadate(III)","","- F6 H12 N3 V -","- F6 H12 N3 V -","- F24 H48 N12 V4 -","4","0.0416667","","Passerini, L; Pirani, R","Struttura dei sali complessi contenenti atomi o gruppi coordinati di specie diversa.- I. Complessi a numero di coordinazione 6. I sali. (N H~4~)~3~ (V F~6~), Tl~2~ (V F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","279","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010136","8.45","0.01","8.45","0.01","8.45","0.01","90","","90","","90","","603.4","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Thallium pentafluorovanadate(III) hydrate","","- F5 H2 O Tl2 V -","- F4.98 H2.29 O1.02 Tl2 V -","- F19.92 H9.16 O4.08 Tl8 V4 -","4","0.0416667","","Passerini, L; Pirani, R","Struttura dei sali complessi contenenti atomi o gruppi coordinati di specie diversa.- I. Complessi a numero di coordinazione 6. I sali. (N H~4~)~3~ (V F~6~), Tl~2~ (V F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","279","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010137","9.01","0.01","9.01","0.01","9.01","0.01","90","","90","","90","","731.4","","","","","","","","","","","","","4","F m -3","-F 2 2 3","202","","Ammonium hexafluorochromate(III)","","- Cr F6 H12 N3 -","- Cr F6 H12 N3 -","- Cr4 F24 H48 N12 -","4","0.0416667","","Passerini, L; Pirani, R","Struttura dei sali complessi contenenti atomi o gruppi coordinati di specie diversa.- II. Complessi a numero di coordinazione 6.I sali. (N H~4~)~3~ (V F~6~), Rb~2~ (Cr F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","289","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010138","8.38","0.05","8.38","0.05","8.38","0.05","90","","90","","90","","588.5","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Rubidium pentafluoroaquachromate(III)","","- Cr F5 H2 O Rb2 -","- Cr F4.98 H3.04 O1.02 Rb2 -","- Cr4 F19.92 H12.16 O4.08 Rb8 -","4","0.0416667","","Passerini, L; Pirani, R","Struttura dei sali complessi contenenti atomi o gruppi coordinati di specie diversa.- II. Complessi a numero di coordinazione 6.I sali. (N H~4~)~3~ (V F~6~), Rb~2~ (Cr F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","289","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010139","8.42","0.01","8.42","0.01","8.42","0.01","90","","90","","90","","596.9","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Ammonium pentafluorovanadate(III) hydrate","","- F5 H10 N2 O V -","- F4.98 H9.25 N2 O1.02 V -","- F19.92 H37 N8 O4.08 V4 -","4","0.0416667","","Pirani, R","Sali complessi contenenti atomi o gruppi coordinati di specie diversa. Complessi a numero di coordinazione 6.-I. I sali (N H~4~)~2~ (V F~5~ (H~2~ O)), (Rb~2~ (V F~5~ (H~2~ O)), Tl~2~ (Cr F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","380","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010140","8.42","0.01","8.42","0.01","8.42","0.01","90","","90","","90","","596.9","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Rubidium pentafluoroaquavanadate(III)","","- F5 H2 O Rb2 V -","- F4.98 H3.04 O1.02 Rb2 V -","- F19.92 H12.16 O4.08 Rb8 V4 -","4","0.0416667","","Pirani, R","Sali complessi contenenti atomi o gruppi coordinati di specie diversa. Complessi a numero di coordinazione 6.-I. I sali (N H~4~)~2~ (V F~5~ (H~2~ O)), (Rb~2~ (V F~5~ (H~2~ O)), Tl~2~ (Cr F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","380","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010141","8.41","0.01","8.41","0.01","8.41","0.01","90","","90","","90","","594.8","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Thallium pentafluorochromate(III) hydrate","","- Cr F5 H2 O Tl2 -","- Cr F4.98 H2.29 O1.02 Tl2 -","- Cr4 F19.92 H9.16 O4.08 Tl8 -","4","0.0416667","","Pirani, R","Sali complessi contenenti atomi o gruppi coordinati di specie diversa. Complessi a numero di coordinazione 6.-I. I sali (N H~4~)~2~ (V F~5~ (H~2~ O)), (Rb~2~ (V F~5~ (H~2~ O)), Tl~2~ (Cr F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","380","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010258","10.46","0.02","10.46","0.02","10.46","0.02","90","","90","","90","","1144.4","","","","","","","","","","","","","4","F m -3","-F 2 2 3","202","","Potassium hexanitrocobaltate","","- Co K3 N6 O12 -","- Co K3 N6 O12 -","- Co4 K12 N24 O48 -","4","0.0416667","","van Driel, M; Verweel, H J","Ueber die Struktur der Tripelnitrite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","308","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010259","10.78","0.02","10.78","0.02","10.78","0.02","90","","90","","90","","1252.7","","","","","","","","","","","","","4","F m -3","-F 2 2 3","202","","Ammonium hexanitrocobaltate","","- Co H12 N9 O12 -","- Co H12 N9 O12 -","- Co4 H48 N36 O48 -","4","0.0416667","","van Driel, M; Verweel, H J","Ueber die Struktur der Tripelnitrite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","308","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010260","10.34","0.02","10.34","0.02","10.34","0.02","90","","90","","90","","1105.5","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Dipotassium calcium hexanitroniccolate","","- Ca K2 N6 Ni O12 -","- Ca K2 N6 Ni O12 -","- Ca4 K8 N24 Ni4 O48 -","4","0.0416667","","van Driel, M; Verweel, H J","Ueber die Struktur der Tripelnitrite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","308","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010261","10.65","0.02","10.65","0.02","10.65","0.02","90","","90","","90","","1207.9","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Dipotassium lead hexanitrocuprate","","- Cu K2 N6 O12 Pb -","- Cu K2 N6 O12 Pb -","- Cu4 K8 N24 O48 Pb4 -","4","0.0416667","","van Driel, M; Verweel, H J","Ueber die Struktur der Tripelnitrite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","308","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010854","10.09","","10.09","","10.09","","90","","90","","90","","1027.2","","","","","","","","","","","","","4","F m -3","-F 2 2 3","202","","Hexaamminenickel chloride","","- Cl2 H18 N6 Ni -","","","4","0.0416667","","Wyckoff, R W G","The crystal structures of the hexaammoniates of the nickel halides","Journal of the American Chemical Society","1922","44","","1239","1245","10.1021/ja01427a007","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1526813","11.2812","","11.2812","","11.2812","","90","","90","","90","","1435.71","","","","","","","","","","","","","3","F m -3","-F 2 2 3","202","","Cs2 (B12 H12)","","- B12 Cs2 H12 -","- B12 Cs2 H12 -","- B48 Cs8 H48 -","4","0.0416667","","Tiritiris, I.; Schleid, T.; Mueller, K.; Preetz, W.","Strukturelle Untersuchungen an Cs2 (B12 H12)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","323","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528292","11.19761","","11.19761","","11.19761","","90","","90","","90","","1404.03","","","","","","","","","","","","","2","F m -3","-F 2 2 3","202","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi32 O48 -","16","0.166667","","Aidhy D.S.; Sinnott, S.B.; Wachsmann, D.E.; Phillpot, S.R.; Nino, J.C.","Structure of delta-Bi2 O3 from density functional theory: a systematic crystallographic analysis","Journal of Solid State Chemistry","2009","182","","1222","1228","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530936","10.85","","10.85","","10.85","","90","","90","","90","","1277.29","","","","","","","","","","","","","3","F m -3","-F 2 2 3","202","","Rb2 B12 H12","","- B12 H12 Rb2 -","- B12 H12 Rb2 -","- B48 H48 Rb8 -","4","0.0416667","","Uspenskaya, S.I.; Solntsev, K.A.; Kuznetsov, N.T.","X-ray study of rubidium dodecahydrocloso dodecaborate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1975","16","","482","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532255","22.2001","","22.2001","","22.2001","","90","","90","","90","","10941.2","","","","","","","","","","","","","3","F m -3","-F 2 2 3","202","","(N H4)7 (V O4 W10 V2 O36) (H2 O)32","","- O72 V3.0004 W9.9996 -","- O72 V3.0004 W9.9996 -","- O576 V24.0032 W79.9968 -","8","0.0833333","","Shivaiah, V.; Das, S.K.","Synthesis and characterisation of a reduced heteropolytungstovanadate: (N H4)7 (V(V) O4 W(VI)10 V(IV)2 O36) * ca.22(H2 O)","Proceedings of the Indian Academy of Sciences, Serie: Chem. Sci.","2002","114","","107","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","157937","2020-10-21","18:00:00",""
"1533614","10.629","","10.629","","10.629","","90","","90","","90","","1200.82","","","","","","","","","","","","","3","F m -3","-F 2 2 3","202","","K2 (B12 H12)","","- B12 H12 K2 -","- B12 H12 K2 -","- B48 H48 K8 -","4","0.0416667","","Tiritiris, I.; Schleid, T.","Die Dodekahydro-closo-Dodekaborate M2 (B12 H12) der schweren Alkalimetalle (M(+) = K(+), Rb(+), (N H4)(+), Cs(+)) und ihre formalen Iodid-Addukte M3 I (B12 H12) (= (M I) * (M2 (B12 H12)))","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1390","1402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533618","10.8781","","10.8781","","10.8781","","90","","90","","90","","1287.24","","","","","","","","","","","","","3","F m -3","-F 2 2 3","202","","(N H4)2 (B12 H12)","","- B12 H20 N2 -","- B12 H20 N2 -","- B48 H80 N8 -","4","0.0416667","","Tiritiris, I.; Schleid, T.","Die Dodekahydro-closo-Dodekaborate M2 (B12 H12) der schweren Alkalimetalle (M(+) = K(+), Rb(+), (N H4)(+), Cs(+)) und ihre formalen Iodid-Addukte M3 I (B12 H12) (= (M I) * (M2 (B12 H12)))","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1390","1402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534157","5.13","","5.13","","5.13","","90","","90","","90","","135.006","","","","","","","","","","","","","3","F m -3","-F 2 2 3","202","","Ca N H","","- Ca H N -","- Ca N -","- Ca4 N4 -","4","0.0416667","","Andresen, A.F.; Fischer, P.; Kay, M.I.","A neutron diffraction study of Ca N H","Helvetica Physica Acta","1964","37","","195","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534747","10.512","","10.512","","10.512","","90","","90","","90","","1161.6","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","(N H4)2 Na (Ir (N O2)6)","","- H8 Ir N8 Na O12 -","- H8 Ir N8 Na O12 -","- H32 Ir4 N32 Na4 O48 -","4","0.0416667","","Gromilov, S.A.; Baydina, I.A.; Hranenko, S.P.; Venedictov, A.B.; Alekseev, V.I.","The crystal structure of ammonium-sodium hexanitrites of iridium(III) and rhodium(III)","Zhurnal Neorganicheskoi Khimii","1990","35","","682","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1534751","10.517","","10.517","","10.517","","90","","90","","90","","1163.26","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","(N H4)2 Na (Rh (N O2)6)","","- H8 N8 Na O12 Rh -","- H8 N8 Na O12 Rh -","- H32 N32 Na4 O48 Rh4 -","4","0.0416667","","Gromilov, S.A.; Baydina, I.A.; Alekseev, V.I.; Venedictov, A.B.; Hranenko, S.P.","The crystal structure of ammonium-sodium hexanitrites of iridium(III) and rhodium(III)","Zhurnal Neorganicheskoi Khimii","1990","35","","682","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1566953","38.4865","0.0007","38.4865","0.0007","38.4865","0.0007","90","","90","","90","","57006.6","1.8","150","0.1","150","0.1","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C249 H289 N25 O80 Zr6 -","- C210 H127.999 N12 O32 Zr6 -","- C840 H511.997 N48 O128 Zr24 -","4","0.0416667","","Li, Xia; Xie, Jialin; Du, Zhenglin; Jiang, Long; Li, Guangqin; Ling, Sanliang; Zhu, Kelong","Docking rings in a solid: reversible assembling of pseudorotaxanes inside a zirconium metal–organic framework","Chemical Science","2022","","","","","10.1039/D2SC01497A","","","1.54178","CuKα","","0.1457","0.1352","","","0.3408","0.3661","","","","","","1.679","","","","has coordinates,has disorder","275345","2022-05-11","22:11:06",""
"2106450","10.7344","","10.7344","","10.7344","","90","","90","","90","","1236.9","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Tl2 Pb (Cu (N O2)6)","","- Cu N6 O12 Pb Tl2 -","- Cu N6 O12 Pb Tl2 -","- Cu4 N24 O48 Pb4 Tl8 -","4","0.0416667","","Takagi, S.; Joesten, M.D.; Lenhert, P.G.","Thallium lead hexanitrocuprate(II) at 295 K","Acta Crystallographica B (24,1968-38,1982)","1976","32","","326","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106601","10.5063","","10.5063","","10.5063","","90","","90","","90","","1159.71","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","K2 Sr (Ni (N O2)6)","","- K2 N6 Ni O12 Sr -","- K2 N6 Ni O12 Sr -","- K8 N24 Ni4 O48 Sr4 -","4","0.0416667","","Takagi, S.; Joesten, M.D.; Lenhert, P.G.","Potassium strontium hexanitrocuprate(II) and potassium strontium hexanitronickelate(II)","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2524","2526","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106729","10.5775","","10.5775","","10.5775","","90","","90","","90","","1183.45","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","K2 Pb Ni (N O2)6","","- K2 N6 Ni O12 Pb -","- K2 N6 Ni O12 Pb -","- K8 N24 Ni4 O48 Pb4 -","4","0.0416667","","Takagi, S.; Joesten, M.D.; Lenhert, P.G.","Potassium lead hexanitroniccolate(II)","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1968","1970","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106730","10.78","","10.78","","10.78","","90","","90","","90","","1252.73","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","K2 Ba (Ni (N O2)6)","","- Ba K2 N6 Ni O12 -","- Ba K2 N6 Ni O12 -","- Ba4 K8 N24 Ni4 O48 -","4","0.0416667","","Takagi, S.; Lehnert, P.G.; Joesten, M.D.","Potassium barium hexanitroniccolate(II)","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1970","1972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107109","10.245","","10.245","","10.245","","90","","90","","90","","1075.31","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","K1.64 Na1.36 (Co (N O2)6)","","- Co K1.64 N6 Na1.36 O12 -","- Co K1.644 N6 Na1.356 O12 -","- Co4 K6.576 N24 Na5.424 O48 -","4","0.0416667","","Ohba, S.; Toriumi, K.; Sato, S.; Saito, Y.","Electron-Density Distribution in Crystals of K2 Na (Co (N O2)6)","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3535","3542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031228","9.833","","9.833","","9.833","","90","","90","","90","","950.732","","","","","","","","","","","","","4","F m -3","-F 2 2 3","202","","Cs3 U O2 F5","","- Cs3 F5 O2 U -","- Cs3 F5.01 O1.998 U -","- Cs12 F20.04 O7.992 U4 -","4","0.0416667","","Brusset, H.; Dao, N.Q.","Ordre et desordre dans la structure cristalline du pentafluoxyuranate de cesium","Journal of Inorganic and Nuclear Chemistry","1971","33","","1365","1372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4104031","30.1073","0.0002","30.1073","0.0002","30.1073","0.0002","90","","90","","90","","27290.7","0.3","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C192 H240 Br6 Co9 N84 O74 -","- C192 H240 Br6 Co9 N84 O74.04 -","- C768 H960 Br24 Co36 N336 O296.16 -","4","0.0416667","","Man-Li Cao; Jin-Ji Wu; Hao-Jun Mo; Bao-Hui Ye","Template Trapping and Crystal Structure of the Magic Number (H2O)21 Cluster in the Tetrahedral Hole of a Nanoscale Global Ion Packed in a Face-Centered cubic Pattern","Journal of the American Chemical Society","2009","131","","3458","3459","10.1021/ja810107a","","","0.71073","MoKα","","0.1192","0.0682","","","0.1794","0.2023","","","","","","1.005","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104032","30.165","0.003","30.165","0.003","30.165","0.003","90","","90","","90","","27448","5","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C192 H240 Cl6 Co9 N84 O76 -","- C192 H240 Cl6 Co9 N84 O75.956 -","- C768 H960 Cl24 Co36 N336 O303.824 -","4","0.0416667","","Man-Li Cao; Jin-Ji Wu; Hao-Jun Mo; Bao-Hui Ye","Template Trapping and Crystal Structure of the Magic Number (H2O)21 Cluster in the Tetrahedral Hole of a Nanoscale Global Ion Packed in a Face-Centered cubic Pattern","Journal of the American Chemical Society","2009","131","","3458","3459","10.1021/ja810107a","","","0.71073","MoKα","","0.0812","0.0523","","","0.1592","0.173","","","","","","1.009","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104764","22.418","0.006","22.418","0.006","22.418","0.006","90","","90","","90","","11267","5","298","2","298","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C60 H50 In8 N45 O48 -","- C60 H32 In8 N42.28 O48 -","- C240 H128 In32 N169.12 O192 -","4","0.0416667","","Dorina F. Sava; Victor Ch. Kravtsov; Juergen Eckert; Jarrod F. Eubank; Farid Nouar; Mohamed Eddaoudi","Exceptional Stability and High Hydrogen Uptake in Hydrogen-Bonded Metal-Organic Cubes Possessing ACO and AST Zeolite-like Topologies","Journal of the American Chemical Society","2009","131","","10394","10396","10.1021/ja903287v","","","0.71073","MoKα","","0.1054","0.0611","","","0.1503","0.1665","","","","","","1","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4105434","25.976","0.005","25.976","0.005","25.976","0.005","90","","90","","90","","17527","6","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C91.76 H60 N55.92 O59.2 Zn12 -","- C91.76 H60 N55.92 O59.2 Zn12.0002 -","- C367.04 H240 N223.68 O236.8 Zn48.0008 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0925","0.0794","","","0.1881","0.1953","","","","","","1.169","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105435","23.1553","0.0015","23.1553","0.0015","23.1553","0.0015","90","","90","","90","","12415.1","1.4","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C76.2 H16.8 K8 N29.4 O65.08 Zn8 -","- C76.2 H16.8 K8 N29.4 O65.08 Zn8 -","- C304.8 H67.2 K32 N117.6 O260.32 Zn32 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0869","0.0795","","","0.2277","0.2351","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105437","23.7179","0.0019","23.7179","0.0019","23.7179","0.0019","90","","90","","90","","13342.2","1.9","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C60 H24 Cd8 K8 N24 O68.52 -","- C60 H24 Cd8 K8 N24 O68.52 -","- C240 H96 Cd32 K32 N96 O274.08 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0964","0.088","","","0.2242","0.2298","","","","","","1.155","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105438","24.593","0.002","24.593","0.002","24.593","0.002","90","","90","","90","","14874","2","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C72 H48 Cd8 Cs8 N28 O60 -","- C71.9999 H47.9998 Cd8 Cs7.9992 N28 O60.0001 -","- C288 H191.999 Cd32 Cs31.9968 N112 O240 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0891","0.0794","","","0.2001","0.2091","","","","","","1.072","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105439","26.291","0.006","26.291","0.006","26.291","0.006","90","","90","","90","","18173","7","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C86.24 H60 Mn12 N55.92 O60.16 -","- C86.24 H60 Mn12.0002 N55.92 O60.16 -","- C344.96 H240 Mn48.0008 N223.68 O240.64 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0952","0.0841","","","0.232","0.2416","","","","","","1.208","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105440","25.928","0.003","25.928","0.003","25.928","0.003","90","","90","","90","","17430","3","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C91.76 H60 Co12 N55.92 O57 -","- C91.76 H60 Co12.0002 N55.92 O57 -","- C367.04 H240 Co48.0008 N223.68 O228 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0815","0.0671","","","0.1849","0.1949","","","","","","1.099","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105441","26.123","0.004","26.123","0.004","26.123","0.004","90","","90","","90","","17827","5","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C75.92 H91.68 In8 N51.96 O70.6 -","- C75.92 H91.68 In8 N51.96 O70.6 -","- C303.68 H366.72 In32 N207.84 O282.4 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0781","0.0602","","","0.1789","0.194","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105549","42.3067","0.0007","42.3067","0.0007","42.3067","0.0007","90","","90","","90","","75723","2","298","2","298","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C34.5 H15 Co3 N3.75 O25.07 -","- C34.5 H15 Co3 N3.75 O25.135 -","- C1104 H480 Co96 N120 O804.32 -","32","0.333333","","Baishu Zheng; Junfeng Bai; Jingui Duan; Lukasz Wojtas; Michael J. Zaworotko","Enhanced CO2 Binding Affinity of a High-Uptakerht-Type Metal-Organic Framework Decorated with Acylamide Groups","Journal of the American Chemical Society","2011","133","","748","751","10.1021/ja110042b","","","0.71073","MoKα","","0.1657","0.0818","","","0.2115","0.2613","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107382","31.34","0.0007","31.34","0.0007","31.34","0.0007","90","","90","","90","","30782","1.2","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C6 H2.25 N0.75 Ni0.75 O3.9 -","- C6 H2.25 N0.75 Ni0.75 O3.9 -","- C384 H144 N48 Ni48 O249.6 -","64","0.666667","","Amy J. Cairns; Jason A. Perman; Lukasz Wojtas; Victor Ch. Kravtsov; Mohamed H. Alkordi; Mohamed Eddaoudi; Michael J. Zaworotko","Supermolecular Building Blocks (SBBs) and Crystal Design: 12-Connected Open Frameworks Based on a Molecular Cubohemioctahedron","Journal of the American Chemical Society","2008","130","","1560","1561","10.1021/ja078060t","","","0.71073","MoKα","","0.1575","0.1432","","","0.3462","0.3575","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111295","49.6188","0.0008","49.6188","0.0008","49.6188","0.0008","90","","90","","90","","122163","3","240","2","240","2","","","","","","","","5","F m -3","-F 2 2 3","202","mesoMOF-1","mesoMOF-1","","- C32 H20 Cu2 N8 O10 -","- C32 H20 Cu2 N8 O10 -","- C768 H480 Cu48 N192 O240 -","24","0.25","","Xi-Sen Wang; Shengqian Ma; Daofeng Sun; Sean Parkin; Hong-Cai Zhou","A Mesoporous Metal-Organic Framework with Permanent Porosity","Journal of the American Chemical Society","2006","128","","16474","16475","10.1021/ja066616r","","","1.54178","CuKα","","0.0975","0.0912","","","0.2558","0.263","","","","","","1.036","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4118926","41.4417","0.0011","41.4417","0.0011","41.4417","0.0011","90","","90","","90","","71173","3","200","2","200","2","","","","","","","","7","F m -3","-F 2 2 3","202","","","","- C86 H456 Mo84 N2.5 Na43.5 O416 S48 -","- C48 H72 Mo84 Na7.92 O298.48 S48 -","- C192 H288 Mo336 Na31.68 O1193.92 S192 -","4","0.0416667","","Fatma Bannani; Sébastien Floquet; Nathalie Leclerc-Laronze; Mohamed Haouas; Francis Taulelle; Jérôme Marrot; Paul Kögerler; Emmanuel Cadot","Cubic Box versus Spheroidal Capsule Built from Defect and Intact Pentagonal Units","Journal of the American Chemical Society","2012","134","","19342","19345","10.1021/ja309302y","","","0.71073","MoKα","","0.1049","0.0618","","","0.1686","0.1897","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121466","26.8514","0.0007","26.8514","0.0007","26.8514","0.0007","90","","90","","90","","19359.8","0.9","100","","100.15","","","","","","","","","4","F m -3","-F 2 2 3","202","","MOF-806","","- C84 H24 O49.5 Zr6 -","- C84 H24 O49.5 Zr6 -","- C336 H96 O198 Zr24 -","4","0.0416667","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0663","0.0631","","","0.2346","0.2388","","","","","","1.297","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122999","21.9265","0.0025","21.9265","0.0025","21.9265","0.0025","90","","90","","90","","10542","2","295","","295","","","","","","","","","5","F m -3","-F 2 2 3","202","Nickel Telurium Triethylphosphine C70 complex","","","- C118 H120 Ni9 P8 Te6 -","- C118.56 H120 Ni9.001 P8 Te6 -","- C474.24 H480 Ni36.004 P32 Te24 -","4","0.0416667","","Lee, Chul-Ho; Liu, Lian; Bejger, Christopher; Turkiewicz, Ari; Goko, Tatsuo; Arguello, Carlos J.; Frandsen, Benjamin A.; Cheung, Sky C.; Medina, Teresa; Munsie, Timothy J. S.; D'Ortenzio, Robert; Luke, Graeme M.; Besara, Tiglet; Lalancette, Roger A.; Siegrist, Theo; Stephens, Peter W.; Crowther, Andrew C.; Brus, Louis E.; Matsuo, Yutaka; Nakamura, Eiichi; Uemura, Yasutomo J.; Kim, Philip; Nuckolls, Colin; Steigerwald, Michael L.; Roy, Xavier","Ferromagnetic Ordering in Superatomic Solids.","Journal of the American Chemical Society","2014","","","141120142959006","","10.1021/ja5098622","powder diffraction","","0.69962","","","","","","","","","","0.009","1.205","","","","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4130132","29.896","0.0007","29.896","0.0007","29.896","0.0007","90","","90","","90","","26720.2","1.1","293","2","293","2","","","","","","","","4","F m -3","-F 2 2 3","202","","","","- C0 H0 O228 Ti84 -","- O228 Ti84 -","- O456 Ti168 -","2","0.0208333","","Gao, Mei-Yan; Wang, Fei; Gu, Zhi-Gang; Zhang, De-Xiang; Zhang, Lei; Zhang, Jian","Fullerene-like Polyoxotitanium Cage with High Solution Stability.","Journal of the American Chemical Society","2016","138","8","2556","2559","10.1021/jacs.6b00613","","","1.54178","CuKα","","0.1761","0.1244","","","0.3063","0.348","","","","","","0.909","","","","has coordinates","240694","2020-10-21","18:00:00",""
"4338417","14.7557","0.0006","14.7557","0.0006","14.7557","0.0006","90","","90","","90","","3212.8","0.2","293","2","293","2","","","","","","","","3","F m -3","-F 2 2 3","202","","","","- Cs3 Cu20 Te13 -","- Cs3 Cu20 Te13 -","- Cs12 Cu80 Te52 -","4","0.0416667","","Huai, Wen-Juan; Shen, Jin-Ni; Lin, Hua; Chen, Ling; Wu, Li-Ming","Electron-Deficient Telluride Cs3Cu20Te13 with Sodalite-Type Network: Syntheses, Structures, and Physical Properties.","Inorganic chemistry","2014","53","11","5575","5580","10.1021/ic500291v","","","0.71073","MoKα","","0.0432","0.0424","","","0.1198","0.1208","","","","","","1.075","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4344222","10.672","","10.672","","10.672","","90","","90","","90","","1215.45","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","K2 Pb (Cu (N O2)6)","","- Cu K2 N6 O12 Pb -","- Cu K2 N6 O12 Pb -","- Cu4 K8 N24 O48 Pb4 -","4","0.0416667","","Cullen, D.L.; Lingafelter, E.C.","Redetermination of the crystal structure of potassium lead hexanitrocuprate(II), K2 Pb Cu (N O2)6","Inorganic Chemistry","1971","10","","1264","1268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4348959","32.767","0.002","32.767","0.002","32.767","0.002","90","","90","","90","","35181","4","100","2","100","2","","","","","","","synthesis as described","5","F m -3","-F 2 2 3","202","","Poly{[tetracosaaquadodeca(mu4-5-cyanoisophtalato-kO:kO':kO'':kO''') dodeca(mu-5-cyanoisophtalato-kO:kO'')octa(mu4-oxide)dotriacontazinc(II)] dodecakis(dimethylformamide)}","","- C252 H204 N36 O140 Zn32 -","- C216 H72 N24 O128 Zn32 -","- C864 H288 N96 O512 Zn128 -","4","0.0416667","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.0999","0.0617","","","0.1418","0.1528","","","","","","0.947","","","","has coordinates","233511","2020-10-21","18:00:00",""
"4349386","10.6477","0.0006","10.6477","0.0006","10.6477","0.0006","90","","90","","90","","1207.17","0.12","300","","300","","","","","","","","","4","F m -3","-F 2 2 3","202","","","?c1-NaK(B12H12)?","- B24 H24 K2 Na2 -","- B24 H24 K2 Na2 -","- B48 H48 K4 Na4 -","2","0.0208333","","Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan","Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.","Inorganic chemistry","2017","56","9","5006","5016","10.1021/acs.inorgchem.7b00013","powder diffraction","","0.81984","synchrotron","","","","","","","","","0.04","34","","","","","","","has coordinates","233916","2020-10-21","18:00:00",""
"4349388","10.528747","","10.528747","","10.528747","","90","","90","","90","","1167.16","","790","","790","","","","","","","","","3","F m -3","-F 2 2 3","202","","","?c3-Na2B12H12?","- B24 H24 Na4 -","- B24 H24 Na4 -","- B48 H48 Na8 -","2","0.0208333","","Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan","Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.","Inorganic chemistry","2017","56","9","5006","5016","10.1021/acs.inorgchem.7b00013","powder diffraction","","0.69852","synchrotron","","","","","","","","","0.04","10","","","","","","","has coordinates","233920","2020-10-21","18:00:00",""
"4501931","22.0003","0.0007","22.0003","0.0007","22.0003","0.0007","90","","90","","90","","10648.4","0.6","273","2","273","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C30 H6 N12 O25 Zn8 -","- C30 H6 N12 O25 Zn8 -","- C240 H48 N96 O200 Zn64 -","8","0.0833333","","Hu, Tuoping; Bi, Wenhua; Hu, Xiaoqin; Zhao, Xiaoliang; Sun, Daofeng","Construction of Metal−Organic Frameworks with Novel {Zn8O13} SBU or Chiral Channels throughin SituLigand Reaction","Crystal Growth & Design","2010","10","8","3324","","10.1021/cg100725j","","","0.71073","MoKα","","0.132","0.1289","","","0.3774","0.3862","","","","","","1.163","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4513143","22.0954","0.0006","22.0954","0.0006","22.0954","0.0006","90","","90","","90","","10787.1","0.5","173","2","173","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C72 H72 B8 Cu6 N48 -","- C72 H72 B8 Cu6 N48 -","- C288 H288 B32 Cu24 N192 -","4","0.0416667","","Zhang, De-Xiang; Zhang, Hai-Xia; Li, Hong-Yan; Wen, Tian; Zhang, Jian","Self-Assembly of Metal Boron Imidazolate Cages","Crystal Growth & Design","2015","15","5","2433","","10.1021/acs.cgd.5b00210","","","0.71073","MoKα","","0.1506","0.1083","","","0.3729","0.3998","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034667","15.981","0.007","15.981","0.007","15.981","0.007","90","","90","","90","","4081","3","173","2","173","2","","","","","","","","8","F m -3","-F 2 2 3","202","","","","- F12 Ge H21.62 K2.79 Mn6 Na8 O41.21 P8 -","- F12 Ge K2.79 Mn6 Na8 O41.2076 P8 -","- F48 Ge4 K11.16 Mn24 Na32 O164.83 P32 -","4","0.0416667","","Ren, Wei-Jian; Wang, Jing-Quan; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","Synthesis and characterization of mixed-valence manganese fluorophosphate and analogues with clathrate-like structures: Mn(III)6F12(PO3(OH))8[Na8(Kx(H3O)4-x(H2O)2)M(IV)(OH)6] (M(IV) = Mn, Ti, Ge).","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7960","7966","10.1039/c5dt00646e","","","0.71073","MoKα","","0.0493","0.0421","","","0.1162","0.1212","","","","","","1.1","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034668","15.968","0.002","15.968","0.002","15.968","0.002","90","","90","","90","","4071.5","0.9","173","2","173","2","","","","","","","","7","F m -3","-F 2 2 3","202","","","","- F12 H18.78 K3.74 Mn7 Na8 O40.26 P8 -","- F12 K3.738 Mn7 Na8 O40.262 P8 -","- F48 K14.952 Mn28 Na32 O161.048 P32 -","4","0.0416667","","Ren, Wei-Jian; Wang, Jing-Quan; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","Synthesis and characterization of mixed-valence manganese fluorophosphate and analogues with clathrate-like structures: Mn(III)6F12(PO3(OH))8[Na8(Kx(H3O)4-x(H2O)2)M(IV)(OH)6] (M(IV) = Mn, Ti, Ge).","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7960","7966","10.1039/c5dt00646e","","","0.71073","MoKα","","0.0378","0.0329","","","0.1038","0.1057","","","","","","1.184","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034669","16.0001","0.0002","16.0001","0.0002","16.0001","0.0002","90","","90","","90","","4096.08","0.09","173","2","173","2","","","","","","","","8","F m -3","-F 2 2 3","202","","","","- F12 H21.1 K2.97 Mn6 Na8 O41.03 P8 Ti -","- F12 K2.964 Mn6 Na8 O41.0384 P8 Ti -","- F48 K11.856 Mn24 Na32 O164.154 P32 Ti4 -","4","0.0416667","","Ren, Wei-Jian; Wang, Jing-Quan; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","Synthesis and characterization of mixed-valence manganese fluorophosphate and analogues with clathrate-like structures: Mn(III)6F12(PO3(OH))8[Na8(Kx(H3O)4-x(H2O)2)M(IV)(OH)6] (M(IV) = Mn, Ti, Ge).","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7960","7966","10.1039/c5dt00646e","","","0.71073","MoKα","","0.0426","0.0365","","","0.1071","0.1118","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112002","26.546","0.0019","26.546","0.0019","26.546","0.0019","90","","90","","90","","18707","2","296","2","296","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C72 H36 N12 O32 Zr6 -","- C72 H36 N12 O32 Zr6 -","- C288 H144 N48 O128 Zr24 -","4","0.0416667","","Liangjun Li; Sifu Tang; Chao Wang; Xiaoxia Lv; Min Jiang; Huaizhi Wu; Xuebo Zhao","High gas storage capacities and stepwise adsorption in a UiO type metal-organic framework incorporating Lewis basic bipyridyl sites","Chem.Commun.","2014","50","","2304","","10.1039/c3cc48275h","","","0.71073","MoKα","","0.0794","0.0567","","","0.1585","0.1662","","","","","","1.051","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7131704","59.677","0.002","59.677","0.002","59.677","0.002","90","","90","","90","","212530","12","100","","100","","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C369 H702 N94 O130 Zr6 -","- C87 H53 O36 Zr6 -","- C2088 H1272 O864 Zr144 -","24","0.25","","Ortín-Rubio, Borja; Perona-Bermejo, Cristina; Suárez Del Pino, José A; Carmona, Francisco J.; Gándara, Felipe; Navarro, Jorge A. R.; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","A mesoporous Zr-based metal-organic framework driven by the assembly of an octatopic linker.","Chemical communications (Cambridge, England)","2023","59","50","7803","7806","10.1039/d3cc01831h","","","0.82656","synchrotron","","0.145","0.1167","","","0.3015","0.3217","","","","","","1.186","","","","has coordinates,has disorder","284852","2023-07-05","08:57:52",""
"7223706","7.939","","7.939","","7.939","","90","","90","","90","","500.377","","","","","","","","","","","","","3","F m -3","-F 2 2 3","202","","Cu (Zr F6)","","- Cu F6 Zr -","- Cu F6 Zr -","- Cu4 F24 Zr4 -","4","0.0416667","","Propach, V.; Steffens, F.","Ueber die Strukturen der Cu Zr F6 - Modifikationen - Neutronenbeugungsuntersuchungen an den Kristallpulvern","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","268","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7232840","10.877","0.013","10.877","0.013","10.877","0.013","90","","90","","90","","1287","3","243","2","243","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C7 H18 B F4 N3 -","- C7 H18 B F3.9996 N3 -","- C28 H72 B4 F15.9984 N12 -","4","0.0416667","","Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M.","Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01740B","","","0.71073","MoKα","","0.1168","0.045","","","0.1502","0.1922","","","","","","0.998","","","","has coordinates,has disorder","215602","2020-10-21","18:00:00",""
"9011073","14.26","","14.26","","14.26","","90","","90","","90","","2899.74","","","","296","3","","","","","","","Synthetic","1","F m -3","-F 2 2 3","202","","","Buckminsterfullerene","- C60 -","- C60 -","- C240 -","4","0.0416667","","Dorset, D. L.; McCourt, M. P.","Disorder and the molecular packing of C60 buckminsterfullerene: a direct electron-crystallographic analysis Sample: room T","Acta Crystallographica, Section A","1994","50","3","344","351","10.1107/S0108767393012607","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""