# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T17:43:01+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'F m -3 c' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1509630","13.1712","","13.1712","","13.1712","","90","","90","","90","","2284.95","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","Ag13 Os O6","","- Ag13 O6 Os -","- Ag13 O6 Os -","- Ag104 O48 Os8 -","8","0.0416667","","Andersen, A.K.; Gunnarsson, O.; Klein, W.; Jansen, M.; Ahlert, S.; Jepsen, O.","Ag13 Os O6, a silver oxide with interconnected icosahedral Ag13(4+) clusters and dispersed Os O6(4-) octahedra","Angew. Chem. Int. ed.","2003","42","","4322","4325","10.1002/anie.200351740","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509951","13.5101","","13.5101","","13.5101","","90","","90","","90","","2465.9","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","K (Ag6.5 In6.5)","","- Ag6.5 In6.5 K -","- Ag6.5 In6.5 K -","- Ag52 In52 K8 -","8","0.0416667","","Bailey, M.S.; DiSalvo, F.J.; McGuire, M.A.","Synthesis and Characterization of K (In6.5 Ag6.5)","Journal of Solid State Chemistry","2005","178","","3494","3499","10.1016/j.jssc.2005.09.004","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511650","23.53","","23.53","","23.53","","90","","90","","90","","13027.6","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","Th B66.8 O.36","","- B66.8 O0.36 Th -","- B66.8 O0.366667 Th -","- B1603.2 O8.8 Th24 -","24","0.125","","Etourneau, J.; Naslain, R.; Kasper, J.S.","Structure cristalline de la phase du system bore-thorium. Un nouveau borure a structure type Y B66","Journal of Solid State Chemistry","1971","3","","101","111","10.1016/0022-4596(71)90013-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515672","39.2048","0.0018","39.2048","0.0018","39.2048","0.0018","90","","90","","90","","60258","5","173","2","173","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C120 H60 Cd13 O66 S24 -","- C120 H24 Cd13 O66 S24 -","- C960 H192 Cd104 O528 S192 -","8","0.0416667","","Yuan, Daqiang; Zhao, Dan; Timmons, Daren J.; Zhou, Hong-Cai","A stepwise transition from microporosity to mesoporosity in metal‒organic frameworks by thermal treatment","Chemical Science","2011","2","1","103","","10.1039/c0sc00320d","","","0.71073","MoKα","","0.073","0.0648","","","0.1561","0.1621","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521123","24.5528","","24.5528","","24.5528","","90","","90","","90","","14801.4","","","","","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","Na94.75 (Al96 Si96 O384) (H2 O)39.17","","- Al96 H78.34 Na94.75 O423.17 Si96 -","- Al96 H78.336 Na94.752 O423.168 Si96 -","- Al96 H78.336 Na94.752 O423.168 Si96 -","1","0.00520833","","Hasegawa, K.; Nishibori, E.; Yu, J.; Sakata, M.; Takata, M.; Togashi, N.; Terasaki, O.","A synchrotron powder diffraction study of Na-LTA","Japanese Journal of Applied Physics, Part 1","1999","38","","65","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524627","12.492","","12.492","","12.492","","90","","90","","90","","1949.38","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","(Cu13 In13) La2","","- Cu13 In13 La2 -","- Cu13 In13 La2 -","- Cu52 In52 La8 -","4","0.0208333","","Kal'ichak, Ya.M.; Dmytrakh, O.V.; Bodak, O.I.; Ogr'izlo, M.M.","The crystal structures of La Cu2 In and La Cu6.5 In6.5","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1984","1984","","33","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","145425","2020-10-21","18:00:00",""
"1524731","12.162","","12.162","","12.162","","90","","90","","90","","1798.93","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","(Cu9.4 Sn3.6) Pr","","- Cu9.4 Pr Sn3.6 -","- Cu9.36 Pr Sn3.64 -","- Cu74.88 Pr8 Sn29.12 -","8","0.0416667","","Komarovskaya, L.P.; Skolozdra, R.V.","Crystallographic structure and magnetic property of R Cu9.4 Sn3.6 (R= La, Ce, Pr, Nd)","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1984","1984","","37","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524778","12.21","","12.21","","12.21","","90","","90","","90","","1820.32","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Eu Zn13 -","- Eu Zn13 -","- Eu8 Zn104 -","8","0.0416667","","Kuz'ma, Yu.B.; Kripyakevich, P.I.; Ugrin, N.S.","New compounds of the rare earth metals with zinc and their crystal structures","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1966","2","","630","635","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525175","13.785","","13.785","","13.785","","90","","90","","90","","2619.51","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Cd13 K -","- Cd13 K -","- Cd104 K8 -","8","0.0416667","","Rossi, D.; Marazza, R.; Mazzone, D.; Ferro, R.","RE In Cd, RE As Pd and RE Sb Pt compounds (RE= rare earth element)","Journal of the Less-Common Metals","1981","78","","P1","P5","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525506","11.33","","11.33","","11.33","","90","","90","","90","","1454.42","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Co13 La -","- Co13 La -","- Co104 La8 -","8","0.0416667","","Zarechnyuk, O.S.; Kripyakevich, P.I.","The compound La Co13 and its crystal structure","Kristallografiya","1967","12","","512","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527116","12.482","","12.482","","12.482","","90","","90","","90","","1944.7","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Ce0.78 Cu8.76 In3.88 -","- Ce0.77 Cu8.81 In3.84 -","- Ce6.16 Cu70.48 In30.72 -","8","0.0416667","","Baranyak, V.M.; Kal'ichak, Ya.M.; Zavalii, P.Yu.; Bel'skii, V.K.","Crystal structure of the compounds Ce Cu2-x In2-y (x=y=0.50) and Ce1-x (Cu.68 In.32)12 Cu1-y (x=0.22, y=0.36)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1990","26","","2316","2318","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528546","11.488","","11.488","","11.488","","90","","90","","90","","1516.12","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","La Fe11.68 Si1.32","","- Fe11.68 La Si1.32 -","- Fe11.68 La Si1.32 -","- Fe93.44 La8 Si10.56 -","8","0.0416667","","Han Mikyung; Miller, G.J.","An application of the ""coloring problem"": structure - composition - bonding relationships in the magnetocaloric materials La Fe(13-x) Si(x)","Industrial Heating","2008","47","","515","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528547","11.471","","11.471","","11.471","","90","","90","","90","","1509.4","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","La Fe11.32 Si1.68","","- Fe11.32 La Si1.68 -","- Fe11.32 La Si1.68 -","- Fe90.56 La8 Si13.44 -","8","0.0416667","","Han Mikyung; Miller, G.J.","An application of the ""coloring problem"": structure - composition - bonding relationships in the magnetocaloric materials La Fe(13-x) Si(x)","Industrial Heating","2008","47","","515","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528548","11.453","","11.453","","11.453","","90","","90","","90","","1502.3","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","La Fe10.6 Si2.4","","- Fe10.6 La Si2.4 -","- Fe10.6 La Si2.4 -","- Fe84.8 La8 Si19.2 -","8","0.0416667","","Han Mikyung; Miller, G.J.","An application of the ""coloring problem"": structure - composition - bonding relationships in the magnetocaloric materials La Fe(13-x) Si(x)","Industrial Heating","2008","47","","515","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528549","11.446","","11.446","","11.446","","90","","90","","90","","1499.55","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","La Fe10.48 Si2.52","","- Fe10.48 La Si2.52 -","- Fe10.48 La Si2.52 -","- Fe83.84 La8 Si20.16 -","8","0.0416667","","Han Mikyung; Miller, G.J.","An application of the ""coloring problem"": structure - composition - bonding relationships in the magnetocaloric materials La Fe(13-x) Si(x)","Industrial Heating","2008","47","","515","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528550","11.429","","11.429","","11.429","","90","","90","","90","","1492.88","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","La Fe10.12 Si2.88","","- Fe10.12 La Si2.88 -","- Fe10.12 La Si2.88 -","- Fe80.96 La8 Si23.04 -","8","0.0416667","","Han Mikyung; Miller, G.J.","An application of the ""coloring problem"": structure - composition - bonding relationships in the magnetocaloric materials La Fe(13-x) Si(x)","Industrial Heating","2008","47","","515","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528551","11.405","","11.405","","11.405","","90","","90","","90","","1483.49","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","La Fe9.76 Si3.24","","- Fe9.76 La Si3.24 -","- Fe9.76 La Si3.24 -","- Fe78.08 La8 Si25.92 -","8","0.0416667","","Han Mikyung; Miller, G.J.","An application of the ""coloring problem"": structure - composition - bonding relationships in the magnetocaloric materials La Fe(13-x) Si(x)","Industrial Heating","2008","47","","515","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529529","24.4244","","24.4244","","24.4244","","90","","90","","90","","14570.4","","","","","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","Na8.28 Mg1.8 (Al12 Si12 O48) (H2 O).74","","- Al12 H1.48 Mg1.8 Na8.28 O48.74 Si12 -","- Al12 H1.44 Mg1.8 Na8.284 O48.736 Si12 -","- Al96 H11.52 Mg14.4 Na66.272 O389.888 Si96 -","8","0.0416667","","Adams, J.M.; Rees, L.V.C.","The structure of a dehydrated partially magnesium exchanged zeolite A (Mg2 Na8 A) by neutron profile refinement","Journal of Solid State Chemistry","1986","62","","184","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529530","24.65579","","24.65579","","24.65579","","90","","90","","90","","14988.5","","","","","","","","","","","","","7","F m -3 c","-F 4a 2 3","226","","((Al O (O H)3)6.24 H12.35 Ca40 Na16 (Al96 Si96 O384)) (C O)40","","- C40 H31.07 Al102.24 Ca40 Na16 O448.96 Si96 -","- C40 H31.104 Al102.24 Ca40 Na16 O448.896 Si96 -","- C40 H31.104 Al102.24 Ca40 Na16 O448.896 Si96 -","1","0.00520833","","Adams, J.M.; Haselden, D.A.","The structure of a carbon monoxide adduct of zeolite 5A","Journal of Solid State Chemistry","1987","68","","351","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","153965","2020-10-21","18:00:00",""
"1532584","24.4848","","24.4848","","24.4848","","90","","90","","90","","14678.8","","","","","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","K88.32 H2.08 (Al90.4 Si101.6 O384)","","- Al90.4 H2.08 K88.32 O384 Si101.6 -","- Al90.3936 K88.3136 O384 Si101.606 -","- Al90.3936 K88.3136 O384 Si101.606 -","1","0.00520833","","Ikeda, T.; Kodaira, T.; Oh, T.; Nisawa, A.","K(+) ion distribution in zeolite ZK-4's with various Si/Al ratios and the contribution of K(+) ions to K cluster formation","Microporous and Mesoporous Materials","2003","57","","249","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533447","11.805","","11.805","","11.805","","90","","90","","90","","1645.12","","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","La Fe10.04 Ga2.96 C0.93","","- C0.93 Fe10.04 Ga2.96 La -","- C0.93 Fe10.04 Ga2.96 La -","- C7.44 Fe80.32 Ga23.68 La8 -","8","0.0416667","","Shcherbakova, Ye.V.; Ivanova, G.V.; Gaviko, V.S.; Gabay, A.M.","Crystal structure of novel ferromagnetic La Fe13-x Gax C compounds","Journal of Magnetism and Magnetic Materials","2003","267","","26","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534457","24.6","","24.6","","24.6","","90","","90","","90","","14886.9","","","","","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","Na35.4 K60 Al95.44 Si96.6 O384","","- Al95.44 K60 Na35.4 O384 Si96.6 -","- Al95.4432 K60.0416 Na35.3984 O384 Si96.5568 -","- Al95.4432 K60.0416 Na35.3984 O384 Si96.5568 -","1","0.00520833","","Adams, J.M.; Haselden, D.A.","The structure of dehydrated zeolite 3A (Si/Al =1.01) by neutron profile refinement","Journal of Solid State Chemistry","1983","47","","123","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","161213","2020-10-21","18:00:00",""
"1539522","12.27","","12.27","","12.27","","90","","90","","90","","1847.28","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Na Zn13 -","- Na Zn13 -","- Na8 Zn104 -","8","0.0416667","","Zintl, E.; Haucke, W.","Konstitution der intermetallischen Phasen NaZn~13~, KZn~13~, KCd~13~, RbCd~13~ und CsCd~13~","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1938","44","1","104","111","10.1002/bbpc.19380440116","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540224","12.24","","12.24","","12.24","","90","","90","","90","","1833.77","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Sr Zn13 -","- Sr Zn13 -","- Sr8 Zn104 -","8","0.0416667","","Ketelaar, J.","The crystal structure of alloys of zinc with the alkali and alkaline earth metals and of cadmium with potassium","Journal of Chemical Physics","1937","5","","668","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541544","24.6","","24.6","","24.6","","90","","90","","90","","14886.9","","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","K91 Al96 Si96 O384","","- Al96 K91 O384 Si96 -","- Al96 K91.056 O384 Si96 -","- Al96 K91.056 O384 Si96 -","1","0.00520833","","Pluth, J.J.; Smith, J.V.","Crystal structure of dehydrated potassium-exchanged zeolite A. Absence of supposed zero-coordinated potassium. Refinement of Si, Al-ordered superstructure","Journal of Physical Chemistry","1979","83","","741","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","172895","2020-10-21","18:00:00",""
"1546303","52.712","","52.712","","52.712","","90","","90","","90","","146463","","","","293","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- F96 Ga384 O1584 P384 -","- F96 Ga384 O1584 P384 -","- F192 Ga768 O3168 P768 -","2","0.0104167","","Estermann, M.; McCusker, L. B.; Baerlocher, C.; Merrouche, A.; Kessler, H.","A synthetic gallophosphate molecular sieve with a 20-tetrahedral-atom pore opening","Nature","1991","352","","320","323","10.1038/352320a0","","x-ray","0.71073","MoKα","","","0.087","","","0.076","","","","","","","","","","","has coordinates","197765","2020-10-21","18:00:00",""
"1552761","32.558","0.004","32.558","0.004","32.558","0.004","90","","90","","90","","34512","7","123","2","123","2","","","","","","","","7","F m -3 c","-F 4a 2 3","226","","","","- C48 H120 Ag44 Cl12 Mo6 O19 S27 -","- C48 H120 Ag44 Cl12 Mo6 O19 S27 -","- C384 H960 Ag352 Cl96 Mo48 O152 S216 -","8","0.0416667","","Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di","Enclosing classical polyoxometallates in silver nanoclusters.","Nanoscale","2019","11","22","10927","10931","10.1039/c9nr04045e","","","0.71073","MoKα","","0.1002","0.0713","","","0.1746","0.2014","","","","","","1.104","","","","has coordinates","223405","2020-10-21","18:00:00",""
"1568236","42.573","0.005","42.573","0.005","42.573","0.005","90","","90","","90","","77162","16","120","","120","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C216 H72 Au18 Cu32 F66 S36 -","- C216 H72 Au18 Cu32 F66 S36 -","- C1728 H576 Au144 Cu256 F528 S288 -","8","0.0416667","","Tang, Li; Wang, Bin; Wang, Ru; Wang, Shuxin","Alloying and dealloying of Au<sub>18</sub>Cu<sub>32</sub> nanoclusters at precise locations <i>via</i> controlling the electronegativity of substituent groups on thiol ligands.","Nanoscale","2023","15","4","1602","1608","10.1039/d2nr05401a","","x-ray","1.54186","CuKα","","0.071","0.0554","","","0.1826","0.1976","","","","","","1.066","","","","has coordinates,has disorder","281490","2023-03-04","18:27:49",""
"2102127","24.47","","24.47","","24.47","","90","","90","","90","","14652","","293","","293","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","Dehydrated Ca-A zeolite","","","- Al96 Ca48 O384 Si96 -","- Al96 Ca48 O384 Si96 -","- Al96 Ca48 O384 Si96 -","1","0.00520833","BR0095","Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude","Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data","Acta Crystallographica Section B","2000","56","5","766","772","10.1107/S0108768100006893","","","0.248","synchrotron","","0.0765","0.0765","","0.0744","0.0744","","","","2.96","2.96","2.96","","","","","has coordinates","281110","2023-02-23","13:17:20",""
"2102128","24.47","","24.47","","24.47","","90","","90","","90","","14652","","293","","293","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","Dehydrated Ca-A zeolite","","","- Al96 Ca48 O384 Si96 -","- Al96 Ca48 O384 Si96 -","- Al96 Ca48 O384 Si96 -","1","0.00520833","BR0095","Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude","Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data","Acta Crystallographica Section B","2000","56","5","766","772","10.1107/S0108768100006893","","","0.248","synchrotron","","0.0699","0.0699","","0.0672","0.0672","","","","2.56","2.56","2.56","","","","","has coordinates","281110","2023-02-23","13:17:33",""
"2102129","24.47","","24.47","","24.47","","90","","90","","90","","14652","","293","","293","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","Dehydrated Ca-A zeolite","","","- Al96 Ca48 O384 Si96 -","- Al96 Ca51.328 O384 Si96 -","- Al96 Ca51.328 O384 Si96 -","1","0.00520833","BR0095","Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude","Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data","Acta Crystallographica Section B","2000","56","5","766","772","10.1107/S0108768100006893","","","0.248","synchrotron","","0.066","0.066","","0.0623","0.0623","","","","2.38","2.38","2.38","","","","","has coordinates","281110","2023-02-23","13:17:36",""
"2105429","23.44","","23.44","","23.44","","90","","90","","90","","12878.7","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","Y B65.9","","- B65.9 Y -","- B65.864 Y -","- B1580.74 Y24 -","24","0.125","","Richards, S.M.; Kasper, J.S.","The crystal structure of Y B66","Acta Crystallographica B (24,1968-38,1982)","1969","25","","237","251","10.1107/S056774086900207X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2231129","12.094","0.0009","12.094","0.0009","12.094","0.0009","90","","90","","90","","1768.9","0.2","293","2","293","2","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","lanthanum dodecazinc","","- La Zn12.36 -","- La Zn12.372 -","- La8 Zn98.976 -","8","0.0416667","HB5947","Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy; White, Fraser","LaZn~12.37(1)~, a zinc-deficient variant of the NaZn~13~ structure type","Acta Crystallographica Section E","2011","67","8","i43","","10.1107/S1600536811028893","","","0.71073","MoKα","","0.0252","0.0243","","","0.051","0.052","","","","","","1.216","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2310245","12.2836","","12.2836","","12.2836","","90","","90","","90","","1853.43","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Na Zn13 -","- Na Zn13 -","- Na8 Zn104 -","8","0.0416667","","Shoemaker, D.P.; Marsh, R.E.; Ewing, F.J.; Pauling, L.","Interatomic distances and atomic valences in Na Zn13","Acta Crystallographica (1,1948-23,1967)","1952","5","","637","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310987","12.38","","12.38","","12.38","","90","","90","","90","","1897.41","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- K Zn13 -","- K Zn13 -","- K8 Zn104 -","8","0.0416667","","Shoemaker, D.P.; Marsh, R.E.; Ewing, F.J.; Pauling, L.","Interatomic distances and atomic valences in Na Zn3","Acta Crystallographica (1,1948-23,1967)","1952","5","","637","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311000","10.395","","10.395","","10.395","","90","","90","","90","","1123.24","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Be13 Th -","- Be13 Th -","- Be104 Th8 -","8","0.0416667","","Baenziger, N.C.; Rundle, R.E.","The M Be13 compounds","Acta Crystallographica (1,1948-23,1967)","1949","2","","258","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311001","10.256","","10.256","","10.256","","90","","90","","90","","1078.78","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Be13 U -","- Be13 U -","- Be104 U8 -","8","0.0416667","","Baenziger, N.C.; Rundle, R.E.","The M Be13 compounds","Acta Crystallographica (1,1948-23,1967)","1949","2","","258","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4104054","48.527","0.006","48.527","0.006","48.527","0.006","90","","90","","90","","114275","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C29 H27 Cd O6.75 -","- C29 H27 Cd O6.75 -","- C2784 H2592 Cd96 O648 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.90002","synchrotron","","0.0376","0.0369","","","0.0981","0.0989","","","","","","1.062","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104055","48.325","0.006","48.325","0.006","48.325","0.006","90","","90","","90","","112854","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C29 H26 Cd O9.25 -","- C29 H26 Cd O9.25 -","- C2784 H2496 Cd96 O888 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.90002","synchrotron","","0.0753","0.0674","","","0.1925","0.1996","","","","","","1.097","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104056","48.85","0.006","48.85","0.006","48.85","0.006","90","","90","","90","","116572","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C336 H312 O219 Pb12 -","- C336 H312 O219 Pb12 -","- C2688 H2496 O1752 Pb96 -","8","0.0416667","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.8","synchrotron","","0.0625","0.0612","","","0.1658","0.1672","","","","","","1.042","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4104057","48.535","0.006","48.535","0.006","48.535","0.006","90","","90","","90","","114331","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C336 H312 O123 Pb12 -","- C336 H312 O123 Pb12 -","- C2688 H2496 O984 Pb96 -","8","0.0416667","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0959","0.0871","","","0.2487","0.2681","","","","","","1.044","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4104058","48.436","0.006","48.436","0.006","48.436","0.006","90","","90","","90","","113633","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd O8.25 -","- C28 H26 Cd O8.25 -","- C2688 H2496 Cd96 O792 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.85","synchrotron","","0.0451","0.0434","","","0.1266","0.1282","","","","","","1.088","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104059","48.686","0.006","48.686","0.006","48.686","0.006","90","","90","","90","","115402","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.76 O6.75 Pb0.24 -","- C28 H26 Cd0.76 O6.75 Pb0.24 -","- C2688 H2496 Cd72.96 O648 Pb23.04 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0875","0.08","","","0.2276","0.2398","","","","","","1.077","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104060","48.673","0.006","48.673","0.006","48.673","0.006","90","","90","","90","","115309","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.66 O6.25 Pb0.34 -","- C28 H26 Cd0.66 O6.25 Pb0.34 -","- C2688 H2496 Cd63.36 O600 Pb32.64 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0864","0.0793","","","0.2261","0.2368","","","","","","1.076","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104061","48.827","0.006","48.827","0.006","48.827","0.006","90","","90","","90","","116407","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.58 O7.75 Pb0.42 -","- C28 H26 Cd0.58 O7.75 Pb0.42 -","- C2688 H2496 Cd55.68 O744 Pb40.32 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0882","0.0782","","","0.2247","0.24","","","","","","1.098","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104062","48.947","0.006","48.947","0.006","48.947","0.006","90","","90","","90","","117268","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.38 O5.75 Pb0.62 -","- C28 H26 Cd0.38 O5.75 Pb0.62 -","- C2688 H2496 Cd36.48 O552 Pb59.52 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0873","0.0829","","","0.2395","0.2482","","","","","","1.093","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104063","48.829","0.006","48.829","0.006","48.829","0.006","90","","90","","90","","116422","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.16 O6.25 Pb0.84 -","- C28 H26 Cd0.16 O6.25 Pb0.84 -","- C2688 H2496 Cd15.36 O600 Pb80.64 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0795","0.0765","","","0.2151","0.2209","","","","","","1.101","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104064","48.793","0.006","48.793","0.006","48.793","0.006","90","","90","","90","","116164","2","298","2","298","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C336 H312 O51 Pb12 -","- C336 H312 O51 Pb12 -","- C2688 H2496 O408 Pb96 -","8","0.0416667","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.90001","synchrotron","","0.0824","0.0669","","","0.1801","0.1938","","","","","","1.05","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4104065","49.267","0.006","49.267","0.006","49.267","0.006","90","","90","","90","","119583","3","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C29 H26 Dy O6.75 -","- C29 H26 Dy O6.75 -","- C2784 H2496 Dy96 O648 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.89999","synchrotron","","0.0856","0.0839","","","0.23","0.2324","","","","","","1.114","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4106492","26.8541","0.0003","26.8541","0.0003","26.8541","0.0003","90","","90","","90","","19365.6","0.4","298","2","","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","Barium oxonitridophosphate chloride","Barium oxonitridophosphate chloride","","- Ba19 Cl12.54 N61.46 O10.54 P36 -","- Ba19 Cl12.536 N61.488 O10.512 P36 -","- Ba152 Cl100.288 N491.904 O84.096 P288 -","8","0.0416667","","Stefan J. Sedlmaier; Markus Döblinger; Oliver Oeckler; Johannes Weber; Jörn Schmedt auf der Günne; Wolfgang Schnick","Unprecedented Zeolite-Like Framework Topology Constructed from Cages with 3-Rings in a Barium Oxonitridophosphate","Journal of the American Chemical Society","2011","133","","12069","12078","10.1021/ja202159e","powder diffraction","x-ray","0.39998","synchrotron","","","","","","","","0.077","","5.172","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113065","27.696","","27.696","","27.696","","90","","90","","90","","21244.7","","293","2","293","2","","","","","","","synthesis","7","F m -3 c","-F 4a 2 3","226","itq21_as-synthesised","ITQ-21 as synthesised, ref. number: itq21-653","","- C384 H696 F24 Ge120 N48 O576 Si168 -","- F23.616 Ge288.192 O573.12 Si19.456 -","- F23.616 Ge288.192 O573.12 Si19.456 -","1","0.00520833","","Teresa Blasco; Avelino Corma; Maria José Díaz-Cabañas; Fernando Rey; Jordi Rius; German Sastre; José A. Vidal-Moya","Synthesis, Characterization, and Framework Heteroatom Localization in ITQ-21","Journal of the American Chemical Society","2004","126","","13414","13423","10.1021/ja047990z","","","0.9611","monochromatic","","0.07","0.07","","0.0912","0.0912","","","","1.008","1.008","1.008","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113113","10.376","0.002","10.376","0.002","10.376","0.002","90","","90","","90","","1117.1","0.4","100","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Be13 Ce -","- Be13 Ce -","- Be104 Ce8 -","8","0.0416667","","Zakiya S. Wilson; Robin T. Macaluso; E. D. Bauer; J. L. Smith; J. D. Thompson; Z. Fisk; George G. Stanley; Julia Y. Chan","Rare Beryllium Icosahedra in the Intermediate Valence Compound CeBe13","Journal of the American Chemical Society","2004","126","","13926","13927","10.1021/ja045861c","","","0.71073","MoKα","","0.0219","0.0192","","","0.0464","0.0484","","","","","","1.159","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4124454","24.68","","24.68","","24.68","","90","","90","","90","","15032.6","","","","","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","Sr45.44 Al90.884 Si101.52 O386 H2.25","","- Al90.884 H2.25 O386 Si101.52 Sr45.44 -","- Al90.8896 O385.92 Si101.51 Sr45.44 -","- Al90.8896 O385.92 Si101.51 Sr45.44 -","1","0.00520833","","Pluth, J.J.; Smith, J.V.","Crystal structure of dehydrated Sr-exchanged Zeolite A. Absence of near-zero-coordinate Sr2+. Presence of Al complex","Journal of the American Chemical Society","1982","104","","6977","6982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124777","24.548","","24.548","","24.548","","90","","90","","90","","14792.7","","","","","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","Ag66.31 Si96 Al96.9 O384 H27","","- Ag66.31 Al96.9 H27 O384 Si96 -","- Ag66.3072 Al96.9 O384 Si96 -","- Ag66.3072 Al96.9 O384 Si96 -","1","0.00520833","","Gellens, L.R.; Pluth, J.J.; Smith, J.V.","Crystal structure of vacuum-dehydrated silver hydrogen zeolite A","Journal of the American Chemical Society","1983","105","","51","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4130101","37.2012","0.0009","37.2012","0.0009","37.2012","0.0009","90","","90","","90","","51484","2","100","","100","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C216 H96 Cl6 Fe27 N144 O24 -","- C216 H96 Cl6 Fe24 N144 O24 -","- C864 H384 Cl24 Fe96 N576 O96 -","4","0.0208333","","Reed, Douglas A.; Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Herm, Zoey R.; Grandjean, Fernande; Long, Jeffrey R.","Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II)-Triazolate Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","17","5594","5602","10.1021/jacs.6b00248","","","0.7749","synchrotron","","0.0439","0.0405","","","0.1272","0.1292","","","","","","1.077","","","","has coordinates","240675","2020-10-21","18:00:00",""
"4130102","38.068","0.0011","38.068","0.0011","38.068","0.0011","90","","90","","90","","55167","3","100","","100","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C264 H240 Cl6 Fe27 N168 O24 -","- C216 H120 Cl6 Fe24 N168 O24 -","- C864 H480 Cl24 Fe96 N672 O96 -","4","0.0208333","","Reed, Douglas A.; Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Herm, Zoey R.; Grandjean, Fernande; Long, Jeffrey R.","Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II)-Triazolate Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","17","5594","5602","10.1021/jacs.6b00248","","","0.7749","synchrotron","","0.0556","0.0505","","","0.1595","0.1651","","","","","","1.12","","","","has coordinates,has disorder","240676","2020-10-21","18:00:00",""
"4130452","37.4139","0.0016","37.4139","0.0016","37.4139","0.0016","90","","90","","90","","52372","4","100","2","100","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri-DMF 100 K","","","- C264 H264 Cl6 Co24 N168 O24 -","- C216 H96 Cl6 Co24 N168 O24 -","- C864 H384 Cl24 Co96 N672 O96 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0768","0.0671","","","0.1996","0.2164","","","","","","1.071","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130453","37.7048","0.0013","37.7048","0.0013","37.7048","0.0013","90","","90","","90","","53603","3","298","2","298","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri-DMF 298 K","","","- C264 H264 Cl6 Co24 N168 O24 -","- C216 H96 Cl6 Co24 N168 O24 -","- C864 H384 Cl24 Co96 N672 O96 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0535","0.0481","","","0.1432","0.1506","","","","","","1.104","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130455","37.0668","0.001","37.0668","0.001","37.0668","0.001","90","","90","","90","","50928","2","100","2","100","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri","","","- C201 H123 Cl6 Co27.26 N144 O9 -","- C192 H96 Cl6 Co27.264 N144 O9 -","- C768 H384 Cl24 Co109.056 N576 O36 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0418","0.0355","","","0.0966","0.1003","","","","","","1.082","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130456","37.0728","0.0012","37.0728","0.0012","37.0728","0.0012","90","","90","","90","","50953","3","100","2","100","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri-O2","","","- C192 H96 Cl6 Co27 N144 O48 -","- C192 H96 Cl6 Co24 N144 O48 -","- C768 H384 Cl24 Co96 N576 O192 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0627","0.0557","","","0.157","0.1649","","","","","","1.088","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4133765","43.5489","0.0003","43.5489","0.0003","43.5489","0.0003","90","","90","","90","","82590.8","1","100","0.1","100","0.1","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C13 H8 Cu N9 O4 Zn2 -","- C13 H8 Cu N9 O4 Zn2 -","- C1248 H768 Cu96 N864 O384 Zn192 -","96","0.5","","Zeng, Heng; Xie, Xiao-Jing; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Ting; Zhao, Yifang; Lu, Weigang; Li, Dan","Cage-Interconnected Metal-Organic Framework with Tailored Apertures for Efficient C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> Separation under Humid Conditions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10923","","x-ray","1.54184","CuKα","","0.0652","0.05","","","0.1279","0.1347","","","","","","1.073","","","","has coordinates,has disorder","245111","2020-10-21","18:00:00",""
"4133766","43.54745","0.00012","43.54745","0.00012","43.54745","0.00012","90","","90","","90","","82582.5","0.4","100","0.11","100","0.11","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C16 H15 Cu3 N10 O5 -","- C16 H15 Cu3 N10 O5 -","- C1536 H1440 Cu288 N960 O480 -","96","0.5","","Zeng, Heng; Xie, Xiao-Jing; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Ting; Zhao, Yifang; Lu, Weigang; Li, Dan","Cage-Interconnected Metal-Organic Framework with Tailored Apertures for Efficient C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> Separation under Humid Conditions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10923","","x-ray","1.54184","CuKα","","0.0504","0.0474","","","0.1349","0.1377","","","","","","1.029","","","","has coordinates,has disorder","245111","2020-10-21","18:00:00",""
"4316064","17.6753","0.0017","17.6753","0.0017","17.6753","0.0017","90","","90","","90","","5522.1","0.9","293","2","293","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Cu32 Ge12 K16 S48 -","- Cu32 Ge12 K16 S48 -","- Cu64 Ge24 K32 S96 -","2","0.0104167","","Ren-Chun Zhang; Hua-Gang Yao; Shou-Hua Ji; Mei-Chen Liu; Min Ji; Yong-Lin An","Copper-Rich Framework Sulfides: A4Cu8Ge3S12 (A = K, Rb) with Cubic Perovskite Structure","Inorganic Chemistry","2010","49","","6372","6374","10.1021/ic100690q","","","0.71073","MoKα","","0.0518","0.0426","","","0.1308","0.1597","","","","","","1.064","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316065","17.5112","0.0012","17.5112","0.0012","17.5112","0.0012","90","","90","","90","","5369.7","0.6","293","2","293","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Cu32 Ge12 Rb16 S48 -","- Cu32 Ge12 Rb15.9998 S48 -","- Cu64 Ge24 Rb31.9997 S96 -","2","0.0104167","","Ren-Chun Zhang; Hua-Gang Yao; Shou-Hua Ji; Mei-Chen Liu; Min Ji; Yong-Lin An","Copper-Rich Framework Sulfides: A4Cu8Ge3S12 (A = K, Rb) with Cubic Perovskite Structure","Inorganic Chemistry","2010","49","","6372","6374","10.1021/ic100690q","","","0.71073","MoKα","","0.0676","0.0615","","","0.1806","0.2043","","","","","","1.037","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4317204","25.098","0.003","25.098","0.003","25.098","0.003","90","","90","","90","","15809","3","293","2","293","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Ru26 Sb24 Zn67 -","- Ru26 Sb24 Zn67.024 -","- Ru208 Sb192 Zn536.192 -","8","0.0416667","","Ding-Bang Xiong; Yufeng Zhao; Walter Schnelle; Norihiko L. Okamoto; Haruyuki Inui","Complex Alloys Containing Double-Mackay Clusters and (Sb1-δZnδ)24 Snub Cubes Filled with Highly Disordered Zinc Aggregates: Synthesis, Structures, and Physical Properties of Ruthenium Zinc Antimonides","Inorganic Chemistry","2010","49","","10788","10797","10.1021/ic101804m","","","0.71073","MoKα","","0.0299","0.0295","","","0.0651","0.0653","","","","","","1.253","","","","has coordinates","179252","2020-10-21","18:00:00",""
"4317205","24.355","0.003","24.355","0.003","24.355","0.003","90","","90","","90","","14447","3","293","2","293","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Ru13 Sb12 Zn83.43 -","- Ru13 Sb12 Zn83.392 -","- Ru104 Sb96 Zn667.136 -","8","0.0416667","","Ding-Bang Xiong; Yufeng Zhao; Walter Schnelle; Norihiko L. Okamoto; Haruyuki Inui","Complex Alloys Containing Double-Mackay Clusters and (Sb1-δZnδ)24 Snub Cubes Filled with Highly Disordered Zinc Aggregates: Synthesis, Structures, and Physical Properties of Ruthenium Zinc Antimonides","Inorganic Chemistry","2010","49","","10788","10797","10.1021/ic101804m","","","0.71073","MoKα","","0.044","0.039","","","0.0933","0.0968","","","","","","1.144","","","","has coordinates","179252","2020-10-21","18:00:00",""
"4317206","24.307","0.003","24.307","0.003","24.307","0.003","90","","90","","90","","14361","3","293","2","293","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","Ruthenium zinc antimonide","","- Ru13 Sb6.29 Zn91.56 -","- Ru13 Sb6.288 Zn91.552 -","- Ru104 Sb50.304 Zn732.416 -","8","0.0416667","","Ding-Bang Xiong; Yufeng Zhao; Walter Schnelle; Norihiko L. Okamoto; Haruyuki Inui","Complex Alloys Containing Double-Mackay Clusters and (Sb1-δZnδ)24 Snub Cubes Filled with Highly Disordered Zinc Aggregates: Synthesis, Structures, and Physical Properties of Ruthenium Zinc Antimonides","Inorganic Chemistry","2010","49","","10788","10797","10.1021/ic101804m","","","0.71073","MoKα","","0.0753","0.0591","","","0.1544","0.1696","","","","","","1.085","","","","has coordinates","179252","2020-10-21","18:00:00",""
"4317207","24.376","0.003","24.376","0.003","24.376","0.003","90","","90","","90","","14484","3","293","2","293","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Ru13 Sb12 Zn83.4 -","- Ru13 Sb17.136 Zn74.824 -","- Ru104 Sb137.088 Zn598.592 -","8","0.0416667","","Ding-Bang Xiong; Yufeng Zhao; Walter Schnelle; Norihiko L. Okamoto; Haruyuki Inui","Complex Alloys Containing Double-Mackay Clusters and (Sb1-δZnδ)24 Snub Cubes Filled with Highly Disordered Zinc Aggregates: Synthesis, Structures, and Physical Properties of Ruthenium Zinc Antimonides","Inorganic Chemistry","2010","49","","10788","10797","10.1021/ic101804m","","","0.71073","MoKα","","0.0677","0.0508","","","0.1329","0.1422","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328344","12.4485","0.0007","12.4485","0.0007","12.4485","0.0007","90","","90","","90","","1929.08","0.19","273","2","273","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","BaAu2Zn11","","","- Au2 Ba Zn11 -","- Au2.028 Ba Zn10.972 -","- Au16.224 Ba8 Zn87.776 -","8","0.0416667","","Shalabh Gupta; John D. Corbett","BaAuxZn13-x: Electron-Poor Cubic NaZn13- Type Intermetallic and Its Ordered Tetragonal Variant","Inorganic Chemistry","2012","51","","2247","2253","10.1021/ic2022787","","","0.71073","MoKα","","0.0163","0.0138","","","0.0259","0.0265","","","","","","1.245","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328345","12.641","0.002","12.641","0.002","12.641","0.002","90","","90","","90","","2020","0.6","273","2","273","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","BaAu7Zn6","","","- Au6.88 Ba Zn6.13 -","- Au6.612 Ba Zn6.312 -","- Au52.896 Ba8 Zn50.496 -","8","0.0416667","","Shalabh Gupta; John D. Corbett","BaAuxZn13-x: Electron-Poor Cubic NaZn13- Type Intermetallic and Its Ordered Tetragonal Variant","Inorganic Chemistry","2012","51","","2247","2253","10.1021/ic2022787","","","0.71073","MoKα","","0.0221","0.0189","","","0.0389","0.0395","","","","","","1.203","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4330458","11.9","0.06","11.9","0.06","11.9","0.06","90","","90","","90","","1685","15","298","2","298","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Al4.45 Cu8.56 La -","- Al4.446 Cu8.554 La -","- Al35.568 Cu68.432 La8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0206","0.0183","","","0.0348","0.0355","","","","","","1.135","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330459","11.87","0.02","11.87","0.02","11.87","0.02","90","","90","","90","","1672","5","298","2","298","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Al4.64 Ce Cu8.36 -","- Al4.646 Ce Cu8.354 -","- Al37.168 Ce8 Cu66.832 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0218","0.0198","","","0.0406","0.0415","","","","","","1.173","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330460","11.852","0.005","11.852","0.005","11.852","0.005","90","","90","","90","","1664.8","1.2","298","2","298","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Al4.15 Cu8.85 Pr -","- Al4.154 Cu8.846 Pr -","- Al33.232 Cu70.768 Pr8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0222","0.0196","","","0.0359","0.0364","","","","","","1.076","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330461","11.932","0.005","11.932","0.005","11.932","0.005","90","","90","","90","","1698.8","1.2","298","2","298","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Al4.61 Cu8.39 Eu -","- Al4.603 Cu8.397 Eu -","- Al36.824 Cu67.176 Eu8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0297","0.0235","","","0.0419","0.0431","","","","","","1.008","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330462","11.9","0.06","11.9","0.06","11.9","0.06","90","","90","","90","","1685","15","298","1","298","1","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al4.53 Cu6.33 Ga1.97 La -","- Al4.5312 Cu6.3299 Ga1.9668 La -","- Al36.2496 Cu50.6392 Ga15.7344 La8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0206","0.0184","","","0.0396","0.0402","","","","","","1.181","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330463","11.87","0.02","11.87","0.02","11.87","0.02","90","","90","","90","","1672","5","298","2","298","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al3.95 Ce Cu6.62 Ga2.28 -","- Al3.9552 Ce Cu6.6203 Ga2.2752 -","- Al31.6416 Ce8 Cu52.9624 Ga18.2016 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0241","0.0225","","","0.0596","0.0602","","","","","","1.162","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330464","11.852","0.005","11.852","0.005","11.852","0.005","90","","90","","90","","1664.8","1.2","298","2","298","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al4.15 Cu6.04 Ga2.66 Pr -","- Al4.152 Cu6.0402 Ga2.664 Pr -","- Al33.216 Cu48.3216 Ga21.312 Pr8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0217","0.0193","","","0.0348","0.0353","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330465","11.932","0.005","11.932","0.005","11.932","0.005","90","","90","","90","","1698.8","1.2","298","2","298","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al4.42 Cu5.87 Eu Ga2.48 -","- Al4.4172 Cu5.8699 Eu Ga2.4804 -","- Al35.3376 Cu46.9592 Eu8 Ga19.8432 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0314","0.0253","","","0.047","0.0481","","","","","","1.125","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330466","11.863","0.003","11.863","0.003","11.863","0.003","90","","90","","90","","1669.5","0.7","296","2","296","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al3.95 Ce Cu6.62 Ga2.28 -","- Al3.96 Ce Cu6.6206 Ga2.28 -","- Al31.68 Ce8 Cu52.9648 Ga18.24 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","neutron","","neutron","","0.0502","0.0501","","","0.1424","0.1425","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330467","11.858","0.004","11.858","0.004","11.858","0.004","90","","90","","90","","1667.4","1","296","2","296","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al3.02 Cu6.04 Ga3.84 Pr -","- Al3.024 Cu6.0398 Ga3.84 Pr -","- Al24.192 Cu48.3184 Ga30.72 Pr8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","neutron","","neutron","","0.051","0.051","","","0.1398","0.1399","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330468","11.921","0.003","11.921","0.003","11.921","0.003","90","","90","","90","","1694.1","0.7","296","2","296","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al4.42 Cu5.87 Eu Ga2.48 -","- Al4.44 Cu5.8694 Eu Ga2.52 -","- Al35.52 Cu46.9552 Eu8 Ga20.16 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","neutron","","neutron","","0.0767","0.0767","","","0.1935","0.1935","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330469","11.897","0.004","11.897","0.004","11.897","0.004","90","","90","","90","","1683.9","1","296","2","296","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al4.53 Cu6.33 Ga1.97 La -","- Al4.56 Cu6.33 Ga1.968 La -","- Al36.48 Cu50.64 Ga15.744 La8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","neutron","","neutron","","0.0571","0.0571","","","0.1553","0.1555","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342890","17.921","0.002","17.921","0.002","17.921","0.002","90","","90","","90","","5755.5","1.1","180","2","180","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- Cu32 H8 Na4 O4 S48 Sn12 -","- Cu32 H20.4 Na4.08 O4 S48 Sn12 -","- Cu64 H40.8 Na8.16 O8 S96 Sn24 -","2","0.0104167","","Zhang, Xian; Wang, Qiuran; Ma, Zhimin; He, Jianqiao; Wang, Zhe; Zheng, Chong; Lin, Jianhua; Huang, Fuqiang","Synthesis, Structure, Multiband Optical, and Electrical Conductive Properties of a 3D Open Cubic Framework Based on [Cu8Sn6S24](z-) Clusters.","Inorganic chemistry","2015","54","11","5301","5308","10.1021/acs.inorgchem.5b00317","","","0.71073","MoKα","","0.0524","0.0435","","","0.1005","0.1049","","","","","","1.254","","","","has coordinates","138139","2020-10-21","18:00:00",""
"4342891","18.0559","0.0006","18.0559","0.0006","18.0559","0.0006","90","","90","","90","","5886.5","0.3","180","2","180","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- Cu32 H8 K11 O4 S48 Sn12 -","- Cu32 H20.4 K11.04 O4 S48 Sn12 -","- Cu64 H40.8 K22.08 O8 S96 Sn24 -","2","0.0104167","","Zhang, Xian; Wang, Qiuran; Ma, Zhimin; He, Jianqiao; Wang, Zhe; Zheng, Chong; Lin, Jianhua; Huang, Fuqiang","Synthesis, Structure, Multiband Optical, and Electrical Conductive Properties of a 3D Open Cubic Framework Based on [Cu8Sn6S24](z-) Clusters.","Inorganic chemistry","2015","54","11","5301","5308","10.1021/acs.inorgchem.5b00317","","","0.71073","MoKα","","0.0688","0.0539","","","0.1591","0.1683","","","","","","1.169","","","","has coordinates","138139","2020-10-21","18:00:00",""
"7106472","63.089","0.0003","63.089","0.0003","63.089","0.0003","90","","90","","90","","251108","2","150","2","150","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C2688 H1856 N192 O1408 Zn192 -","- C2688 H1344 N192 O1408 Zn192 -","- C5376 H2688 N384 O2816 Zn384 -","2","0.0104167","","Zheng-Jie Zhang; Wei Shi; Zheng Niu; Huan-Huan Li; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan","A new type of polyhedron-based metal-organic frameworks with interpenetrating cationic and anionic nets demonstrating ion exchange, adsorption and luminescent properties","Chem.Commun.","2011","47","","6425","","10.1039/c1cc00047k","","","0.71073","MoKα","","0.0823","0.0582","","","0.2037","0.2119","","","","","","1.032","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7107141","45.3","0.005","45.3","0.005","45.3","0.005","90","","90","","90","","92960","18","208","2","208","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C68 H40 Cd4 N20 Na O22 -","- C68 H40 Cd4 N20 Na O22 -","- C1632 H960 Cd96 N480 Na24 O528 -","24","0.125","","Qian-Rong Fang; Da-Qian Yuan; Julian Sculley; Wei-Gang Lu; Hong-Cai Zhou","A novel MOF with mesoporous cages for kinetic trapping of hydrogen","Chem.Commun.","2012","48","","254","","10.1039/c1cc15687j","","","0.71073","MoKα","","0.1022","0.0712","","","0.2136","0.2455","","","","","","1.079","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7108282","24.597","0.000042","24.597","0.000042","24.597","0.000042","90","","90","","90","","14881.5","0.04","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag71.89 Al96 O466.81 Si96 -","- Ag71.8912 Al96 O466.814 Si96 -","- Ag71.8912 Al96 O466.814 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108283","24.59162","0.000046","24.59162","0.000046","24.59162","0.000046","90","","90","","90","","14871.7","0.05","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A?","- Ag71.568 Al96 O469.91 Si96 -","- Ag71.568 Al96 O469.909 Si96 -","- Ag71.568 Al96 O469.909 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108284","24.59018","0.000047","24.59018","0.000047","24.59018","0.000047","90","","90","","90","","14869.1","0.05","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag71.14 Al96 O464.45 Si96 -","- Ag71.1392 Al96 O463.667 Si96 -","- Ag71.1392 Al96 O463.667 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108285","24.59343","0.000048","24.59343","0.000048","24.59343","0.000048","90","","90","","90","","14875","0.05","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag69.76 Al96 O471.42 Si96 -","- Ag69.7632 Al96 O470.454 Si96 -","- Ag69.7632 Al96 O470.454 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108286","24.59947","0.000053","24.59947","0.000053","24.59947","0.000053","90","","90","","90","","14886","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag69.45 Al96 O473.69 Si96 -","- Ag69.4464 Al96 O472.29 Si96 -","- Ag69.4464 Al96 O472.29 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108287","24.59619","0.000057","24.59619","0.000057","24.59619","0.000057","90","","90","","90","","14880","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag68.05 Al96 O476.24 Si96 -","- Ag68.048 Al96 O474.814 Si96 -","- Ag68.048 Al96 O474.814 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108288","24.58547","0.000057","24.58547","0.000057","24.58547","0.000057","90","","90","","90","","14860.6","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag67.94 Al96 O477.46 Si96 -","- Ag67.936 Al96 O477.456 Si96 -","- Ag67.936 Al96 O477.456 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108289","24.57701","0.000057","24.57701","0.000057","24.57701","0.000057","90","","90","","90","","14845.2","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag67.63 Al96 O474.72 Si96 -","- Ag67.6288 Al96 O473.386 Si96 -","- Ag67.6288 Al96 O473.386 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108290","24.57044","0.000056","24.57044","0.000056","24.57044","0.000056","90","","90","","90","","14833.3","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag68.26 Al96 O476.17 Si96 -","- Ag68.2592 Al96 O474.642 Si96 -","- Ag68.2592 Al96 O474.642 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108291","24.56457","0.000056","24.56457","0.000056","24.56457","0.000056","90","","90","","90","","14822.7","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag67.88 Al96 O474.92 Si96 -","- Ag67.8752 Al96 O473.633 Si96 -","- Ag67.8752 Al96 O473.633 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108292","24.5592","0.000057","24.5592","0.000057","24.5592","0.000057","90","","90","","90","","14813","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag68.03 Al96 O472.88 Si96 -","- Ag68.032 Al96 O471.645 Si96 -","- Ag68.032 Al96 O471.645 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108293","24.66358","0.000069","24.66358","0.000069","24.66358","0.000069","90","","90","","90","","15002.7","0.07","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag88.734 Al96 O384 Si96 -","- Ag88.7344 Al96 O384 Si96 -","- Ag88.7344 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108294","24.67046","0.00006","24.67046","0.00006","24.67046","0.00006","90","","90","","90","","15015.2","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag88.445 Al96 O384 Si96 -","- Ag88.4448 Al96 O384 Si96 -","- Ag88.4448 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108295","24.67394","0.00006","24.67394","0.00006","24.67394","0.00006","90","","90","","90","","15021.6","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.934 Al96 O384 Si96 -","- Ag87.9344 Al96 O384 Si96 -","- Ag87.9344 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108296","24.67524","0.000059","24.67524","0.000059","24.67524","0.000059","90","","90","","90","","15024","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.704 Al96 O384 Si96 -","- Ag87.704 Al96 O384 Si96 -","- Ag87.704 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108297","24.67623","0.000057","24.67623","0.000057","24.67623","0.000057","90","","90","","90","","15025.8","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag88.174 Al96 O384 Si96 -","- Ag88.1744 Al96 O384 Si96 -","- Ag88.1744 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108298","24.67687","0.000063","24.67687","0.000063","24.67687","0.000063","90","","90","","90","","15026.9","0.07","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag86.99 Al96 O384 Si96 -","- Ag86.9904 Al96 O384 Si96 -","- Ag86.9904 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108299","24.67781","0.000063","24.67781","0.000063","24.67781","0.000063","90","","90","","90","","15028.7","0.07","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.11 Al96 O384 Si96 -","- Ag87.9808 Al96 O384 Si96 -","- Ag87.9808 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108300","24.67885","0.000061","24.67885","0.000061","24.67885","0.000061","90","","90","","90","","15030.5","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.11 Al96 O384 Si96 -","- Ag87.1104 Al96 O384 Si96 -","- Ag87.1104 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108301","24.67956","0.000058","24.67956","0.000058","24.67956","0.000058","90","","90","","90","","15031.8","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.674 Al96 O384 Si96 -","- Ag87.6736 Al96 O384 Si96 -","- Ag87.6736 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108302","24.67992","0.000062","24.67992","0.000062","24.67992","0.000062","90","","90","","90","","15032.5","0.07","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.498 Al96 O384 Si96 -","- Ag87.4976 Al96 O384 Si96 -","- Ag87.4976 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108303","24.68011","0.000058","24.68011","0.000058","24.68011","0.000058","90","","90","","90","","15032.8","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.048 Al96 O384 Si96 -","- Ag87.048 Al96 O384 Si96 -","- Ag87.048 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","288269","2023-12-12","22:08:21",""
"7108645","41.4543","0.0015","41.4543","0.0015","41.4543","0.0015","90","","90","","90","","71238","4","173","2","173","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C56 H24 Cl Cu4 O16 -","- C56 H24 Cl Cu4 O16 -","- C1344 H576 Cl24 Cu96 O384 -","24","0.125","","Yun-Nan Gong; Miao Meng; Di-Chang Zhong; Yong-Liang Huang; Long Jiang; Tong-Bu Lu","Counter-cation modulation of hydrogen and methane storage in a sodalite-type porous metal-organic framework","Chem.Commun.","2012","48","","12002","","10.1039/c2cc35461f","","","0.71073","MoKα","","0.0481","0.0353","","","0.0878","0.0923","","","","","","1.068","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7125310","53.688","0.007","53.688","0.007","53.688","0.007","90","","90","","90","","154750","3","296","2","296","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- O805 Sr48 U96 -","- O805 Rb18 Sr30 U96 -","- O6440 Rb144 Sr240 U768 -","8","0.0416667","","Falaise, Clément; Hickam, Sarah M.; Burns, Peter C.; Nyman, May","From aqueous speciation to supramolecular assembly in alkaline earth-uranyl polyoxometalates.","Chemical communications (Cambridge, England)","2017","53","69","9550","9553","10.1039/c7cc05357f","","","0.71073","MoKα","","0.1599","0.0757","","","0.1873","0.2359","","","","","","1.066","","","","has coordinates","235590","2020-10-21","18:00:00",""
"7125320","54.8796","0.0009","54.8796","0.0009","54.8796","0.0009","90","","90","","90","","165285","5","173","2","173.01","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C9 H6 Cl0.25 N2 O5 Tb0.5 -","- C9 H4 Cl0.25 N2 O5 Tb0.5 -","- C1728 H768 Cl48 N384 O960 Tb96 -","192","1","","Du, Wei; Zhu, Zhifeng; Bai, Yue-Ling; Yang, Zhen; Zhu, Shourong; Xu, Jiaqiang; Xie, Zhaoxiong; Fang, Jianhui","An anionic sod-type terbium-MOF with extra-large cavities for effective anthocyanin extraction and methyl viologen detection.","Chemical communications (Cambridge, England)","2018","54","47","5972","5975","10.1039/c8cc02193g","","","1.54178","CuKα","","0.0767","0.0668","","","0.2059","0.2182","","","","","","1.131","","","","has coordinates","236759","2020-10-21","18:00:00",""
"7126982","37.5612","0.0003","37.5612","0.0003","37.5612","0.0003","90","","90","","90","","52993","0.7","175","2","175","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- H129 La9 O240 Si3 W44 -","- La9 O204 Si3 W44.0004 -","- La72 O1632 Si24 W352.003 -","8","0.0416667","","Liu, Jin-Hua; Lin, Li-Dan; Wang, Guo-Qiang; Li, Ling-Yun; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","All-inorganic open frameworks based on gigantic four-shell Ln@W<sub>8</sub>@Ln<sub>8</sub>@(SiW<sub>12</sub>)<sub>6</sub> clusters.","Chemical communications (Cambridge, England)","2020","56","71","10305","10308","10.1039/d0cc04070c","","","0.71073","MoKα","","0.0346","0.0319","","","0.09","0.0916","","","","","","1.099","","","","has coordinates","255978","2020-10-21","18:00:00",""
"7133933","14.6769","0.0008","14.6769","0.0008","14.6769","0.0008","90","","90","","90","","3161.6","0.3","401","","401","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C10.73 B3 F12 N -","- C10.72 B3 F12 N -","- C85.76 B24 F96 N8 -","8","0.0416667","","Moriguchi, Jumpei; Koga, Tomoe; Tsunoji, Nao; Nishihara, Sadafumi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Solvent-assisted mechanochemical crystallization of the metal-free perovskite solid solution (H<sub>2</sub>dabco, H<sub>2</sub>hmta)NH<sub>4</sub>(BF<sub>4</sub>)<sub>3</sub>.","Chemical communications (Cambridge, England)","2024","60","84","12181","12184","10.1039/d4cc04010d","","x-ray","0.71073","MoKα","","0.1368","0.1291","","","0.4364","0.4584","","","","","","2.253","","","","has coordinates","295746","2024-11-04","05:57:14",""
"7203985","23.99","0.008","23.99","0.008","23.99","0.008","90","","90","","90","","13807","8","150","","150","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C1.5 Al0.8 N0.17 O4.5 P Zn0.2 -","- C2.66983 Al0.8 N0.332 O4.996 P Zn0.2 -","- C256.304 Al76.8 N31.872 O479.616 P96 Zn19.2 -","96","0.5","","Maple, Martin J.; Philp, Eilidh F.; Slawin, Alexandra M. Z.; Lightfoot, Philip; Cox, Paul A.; Wright, Paul A.","Azamacrocycles and the azaoxacryptand 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane as structure-directing agents in the synthesis of microporous metalloaluminophosphates","Journal of Materials Chemistry","2001","11","1","98","104","10.1039/b003430o","","","0.6942","MonochromatedsynchrotronX-rays","","","0.1233","","","0.1329","","","","","8.098","8.098","","","","","has coordinates,has disorder","277936","2022-09-17","11:45:58",""
"7222679","23.152","","23.152","","23.152","","90","","90","","90","","12409.8","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","Rb5.33 O","","- O Rb5.33 -","- O Rb5.33333 -","- O24 Rb128 -","24","0.125","","Deiseroth, H.J.; Simon, A.","Kristallisationsvorgaenge bei metallreichen Rubidiumoxiden","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","714","722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7235735","52.5078","0.0017","52.5078","0.0017","52.5078","0.0017","90","","90","","90","","144768","8","100","2","100","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C18 H12 Cu3 O15 -","- C4.58824 H0.806723 Cu0.554622 O2.01681 -","- C4368 H768 Cu528 O1920 -","952","4.95833","","Ahmed, Adham; Hodgson, Nicola; Barrow, Michael; Clowes, Rob; Robertson, Craig M.; Steiner, Alexander; McKeown, Paul; Bradshaw, Darren; Myers, Peter; Zhang, Haifei","Macroporous metal‒organic framework microparticles with improved liquid phase separation","J. Mater. Chem. A","2014","2","24","9085","","10.1039/C4TA00138A","","","0.71073","MoKα","","0.1571","0.1048","","","0.3435","0.3938","","","","","","2.537","","","","has coordinates","233281","2020-10-21","18:00:00",""
"7237079","14.745","0.003","14.745","0.003","14.745","0.003","90","","90","","90","","3205.8","1.1","298","2","298","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","DAP-O12","","- C6 H14 Cl3 K N2 O13 -","- C6.0048 H14.0112 Cl3 K N2.0016 O13.0008 -","- C48.0384 H112.09 Cl24 K8 N16.0128 O104.006 -","8","0.0416667","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","","0.71073","MoKα","","0.0679","0.0412","","","0.1041","0.1251","","","","","","1.052","","","","has coordinates,has disorder","236809","2020-10-21","18:00:00",""
"7237219","24.1479","0.0002","24.1479","0.0002","24.1479","0.0002","90","","90","","90","","14081.1","0.2","25","","25","","","","","","","","","7","F m -3 c","-F 4a 2 3","226","","","","- C192.61 H472.59 Al70.9 N32.1 O405.79 P88.8 Si32.3 -","- C192.614 H495.744 Al70.896 N32.1024 O405.792 P88.8 Si32.304 -","- C192.614 H495.744 Al70.896 N32.1024 O405.792 P88.8 Si32.304 -","1","0.00520833","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0444","2.6863","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7243357","18.4754","0.0008","18.4754","0.0008","18.4754","0.0008","90","","90","","90","","6306.4","0.5","298.15","","298.15","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Cu8 Na6 Se13 Sn3 -","- Cu8 Na6 Se13 Sn3 -","- Cu64 Na48 Se104 Sn24 -","8","0.0416667","","Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe","Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13","CrystEngComm","2021","23","35","6079","6085","10.1039/D1CE00821H","","","0.71073","MoKα","","0.0646","0.0442","","","0.0964","0.1068","","","","","","1.068","","","","has coordinates,has disorder","269694","2021-10-06","14:55:32",""
"7701581","24.8134","0.0012","24.8134","0.0012","24.8134","0.0012","90","","90","","90","","15277.7","1.3","100","2","100","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Ga24 Mo7 Zn28 -","- Ga23.998 Mo7 Zn28.002 -","- Ga383.968 Mo112 Zn448.032 -","16","0.0833333","","Verchenko, Valeriy Yu; Zubtsovskii, Alexander O.; Wei, Zheng; Tsirlin, Alexander A.; Dikarev, Evgeny V.; Shevelkov, Andrei V.","From endohedral cluster superconductors to approximant phases: synthesis, crystal and electronic structure, and physical properties of Mo<sub>8</sub>Ga<sub>41-x</sub>Zn<sub>x</sub> and Mo<sub>7</sub>Ga<sub>52-x</sub>Zn<sub>x</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7853","7861","10.1039/c8dt04982c","","","0.71073","MoKα","","0.0481","0.0342","","","0.0583","0.0608","","","","","","1.21","","","","has coordinates","223307","2020-10-21","18:00:00",""
"7702058","53.077","0.002","53.077","0.002","53.077","0.002","90","","90","","90","","149527","10","100","2","100","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C45 H39 N3 O30 Zn6 -","- C45 H33 N3 O30 Zn6 -","- C2880 H2112 N192 O1920 Zn384 -","64","0.333333","","Dolgopolova, E. A.; Moore, T. M.; Fellows, W. B.; Smith, M. D.; Shustova, N. B.","Photophysics of GFP-related chromophores imposed by a scaffold design.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9884","9891","10.1039/c5dt05063d","","x-ray","0.71073","MoKα","","0.0916","0.0709","","","0.2086","0.2184","","","","","","1.065","","","","has coordinates","233456","2020-10-21","18:00:00",""
"7702087","41.0051","0.0009","41.0051","0.0009","41.0051","0.0009","90","","90","","90","","68947","3","293","2","293","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C960 H192 O552 S192 Sr104 -","- C960 H192 O552 S192 Sr104 -","- C960 H192 O552 S192 Sr104 -","1","0.00520833","","Shen, Yu; Fan, Cong-Cong; Wei, Yu-Zhen; Du, Jie; Zhu, Hai-Bin; Zhao, Yue","An anionic zeolite-like metal-organic framework (AZMOF) with a Moravia network for organic dye absorption through cation-exchange.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10909","10915","10.1039/c6dt01697a","","","0.71073","MoKα","","0.1052","0.0859","","","0.2517","0.2671","","","","","","1.853","","","","has coordinates","234740","2020-10-21","18:00:00",""
"7702910","11.47111","","11.47111","","11.47111","","90","","90","","90","","1509.44","","298","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- B3 H12 Pr -","- B3.00048 H12.0019 Pr -","- B24.0038 H96.0154 Pr8 -","8","0.0416667","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","12.6471","","","","","","","","has coordinates","244804","2020-10-21","18:00:00",""
"7702911","11.1386","0.001","11.1386","0.001","11.1386","0.001","90","","90","","90","","1381.9","0.2","542","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- B3 H12 Nd -","- B2.99976 H11.999 Nd -","- B23.9981 H95.9923 Nd8 -","8","0.0416667","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","2.1299","","","","","","","","has coordinates","244805","2020-10-21","18:00:00",""
"7702913","11.3903","0.0018","11.3903","0.0018","11.3903","0.0018","90","","90","","90","","1477.8","0.4","298","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- B3 H12 Nd -","- B2.99976 H11.999 Nd -","- B23.9981 H95.9923 Nd8 -","8","0.0416667","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","2.441","","","","","","","","has coordinates","244806","2020-10-21","18:00:00",""
"7702914","11.14402","","11.14402","","11.14402","","90","","90","","90","","1383.97","","463","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- B3 H12 Pr -","- B2.99976 H11.999 Pr -","- B23.9981 H95.9923 Pr8 -","8","0.0416667","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","5.9243","","","","","","","","has coordinates","244807","2020-10-21","18:00:00",""
"7703287","60.7581","0.0003","60.7581","0.0003","60.7581","0.0003","90","","90","","90","","224291","1.9","291","2","291","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C98 H117 Cl16 Cu12 N65 O17 -","- C84 H96 Cl16 Cu12 N58 O17 -","- C2016 H2304 Cl384 Cu288 N1392 O408 -","24","0.125","","Zhang, Rui; Meng, De-Xian; Ge, Fa-Yuan; Huang, Jv-Hua; Wang, Li-Fei; Xv, Yong-Kai; Liu, Xing-Gui; Meng, Mei-Mei; Yan, Hong; Lu, Zhen-Zhong; Zheng, He-Gen; Huang, Wei","Tetrazole-based porous metal-organic frameworks for selective CO<sub>2</sub> adsorption and isomerization studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2145","2150","10.1039/c9dt04068d","","","0.71073","MoKα","","0.0444","0.0392","","","0.095","0.0954","","","","","","1.074","","","","has coordinates,has disorder","248965","2020-10-21","18:00:00",""
"7704074","24.02326","0.00018","24.02326","0.00018","24.02326","0.00018","90","","90","","90","","13864.2","0.18","291","0.1","291","0.1","","","","","","","","7","F m -3 c","-F 4a 2 3","226","","","","- C5 H16 F Ga4 N O21 P4 -","- F Ga4 O16 P4 -","- F24 Ga96 O384 P96 -","24","0.125","","Huang, Lijuan; Wang, Lei; Zhao, Yan; Huang, Ling; Bi, Jian; Zou, Guohong; Lin, Zhien; Gao, Daojiang","Two amino acid-templated metal phosphates: surfactant-thermal synthesis, water stability, and proton conduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5440","5444","10.1039/d0dt00966k","","x-ray","1.54184","CuKα","","0.067","0.0652","","","0.1827","0.1855","","","","","","1.069","","","","has coordinates","252763","2020-10-21","18:00:00",""
"7705910","42.0581","0.0014","42.0581","0.0014","42.0581","0.0014","90","","90","","90","","74396","4","130","","130","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C528 H540 N128 O183 Sr24 -","- C527.995 H540 N128.003 O183 Sr24 -","- C2111.98 H2160 N512.013 O732 Sr96 -","4","0.0208333","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0441","0.0304","","0.0676","0.0652","0.0652","","","","","","1","","","","has coordinates,has disorder","259705","2020-12-09","03:27:33",""
"8000416","14.341","0.0005","14.341","0.0005","14.341","0.0005","90","","90","","90","","2949.43","0.18","348","2","348","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C16 H0 B8 F32 N5.33 Rb2.67 -","- C16 B8 F32 N5.33387 Rb2.66667 -","- C48 B24 F96 N16.0016 Rb8 -","3","0.015625","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.0543","0.0514","","","0.131","0.134","","","","","","1.167","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000418","14.3006","0.0004","14.3006","0.0004","14.3006","0.0004","90","","90","","90","","2924.58","0.14","358","2","358","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C48 H0 B24 F96 N24 -","- C48 B24 F96 N24.0016 -","- C48 B24 F96 N24.0016 -","1","0.00520833","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.1324","0.1303","","","0.488","0.4938","","","","","","1.228","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8104214","24.61","","24.61","","24.61","","90","","90","","90","","14905.1","","","","","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","Na12 (Al12 Si12 O48) (H2 O)27","","- Al12 H54 Na12 O75 Si12 -","- Al12 Na12.024 O74.912 Si12 -","- Al96 Na96.192 O599.296 Si96 -","8","0.0416667","","Gramlich, V.; Meier, W.M.","The crystal structure of hydrated Na N: A detailed refinement of a pseudosymmetric zeolite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1971","133","","134","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9007808","10.268","","10.268","","10.268","","90","","90","","90","","1082.57","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Be13 U -","- Be13 U -","- Be104 U8 -","8","0.0416667","","McElfresh, M. W.; Hall, J. H.; Ryan, R. R.; Smith, J. L.; Fisk, Z.","Structure of the heavy-fermion superconductor UBe13 Note: x-coordinate of U altered from reported value.","Acta Crystallographica, Section C","1990","46","","1579","1580","10.1107/S0108270189011236","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""