# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-23T09:27:12+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 4/m n 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
"1010667","12.83","","12.83","","18.38","","90","","90","","90","","3025.5","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","Tungstoboric acid *","","- B2 H132 O141 W24 -","","","1","0.0625","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","91","","402","409","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010668","12.8","","12.8","","18.4","","90","","90","","90","","3014.7","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","Ammonium dodecatungstoborate 66-hydrate","","- B H72 N5 O66 W12 -","","","2","0.125","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","91","","402","409","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010669","12.98","","12.98","","18.52","","90","","90","","90","","3120.3","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","Dodecatungstosilicic acid 24-hydrate","","- H52 O64 Si W12 -","","","2","0.125","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","91","","402","409","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010923","7","0.01","7","0.01","10.39","0.01","90","","90","","90","","509.1","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Pentasodium trialuminium fluoride","Chiolite","- Al3 F14 Na5 -","- Al3 F14 Na5 -","- Al6 F28 Na10 -","2","0.125","","Brosset, C","Die Kristallstruktur des Chioliths","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","238","","201","208","10.1002/zaac.19382380205","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010937","9","","9","","15.8","","90","","90","","90","","1279.8","","","","","","","","","","","","","6","P 4/m n c","-P 4 2n","128","","Calcium potassium silicate hydrate *","Apophyllite","- Ca4 F H16 K O28 Si8 -","- Ca4 F H16 K O28 Si8 -","- Ca8 F2 H32 K2 O56 Si16 -","2","0.125","","Taylor, W H; Naray-Szabo, S","The Structure of Apophyllite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","77","","146","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511400","7.093","","7.093","","7.594","","90","","90","","90","","382.059","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Co Lu4 B13","","- B13 Co Lu4 -","- B13 Co Lu4 -","- B26 Co2 Lu8 -","2","0.125","","Dub, O.M.; Kuz'ma, Yu.B.; Shostak, Y.M.","The ternary Lu-Co-B system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","1270","1274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511401","7.235","","7.235","","7.535","","90","","90","","90","","394.421","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Co Tb4 B13","","- B13 Co Tb4 -","- B13 Co Tb4 -","- B26 Co2 Tb8 -","2","0.125","","Kuz'ma, Yu.B.; Dub, O.M.; Chaban, M.F.","Isothermal sections of the phase diagrams of the system Tb-Co-B at 1070 and 870 K","Poroshkovaya Metallurgiya","1988","27","","828","831","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511402","7.1","","7.1","","7.971","","90","","90","","90","","401.818","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Y4 Co B13","","- B13 Co Y4 -","- B13 Co Y4 -","- B26 Co2 Y8 -","2","0.125","","Gubich, I.B.; Kuz'ma, Yu.B.; Chaban, N.F.","New borides Ln4CoB13 and their crystal structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1979","1981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511404","7.186","","7.186","","7.446","","90","","90","","90","","384.501","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Er4 Ni B13","","- B13 Er4 Ni -","- B13 Er4 Ni -","- B26 Er8 Ni2 -","2","0.125","","Kuz'ma, Yu.B.; Kotur, B.Ya.; Chaban, N.F.; Chernyak, G.V.; Aksel'rud, L.G.","The crystal structure of the boride Er4 Ni B13 and its analogs","Kristallografiya","1983","28","","1210","1212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517939","16.181","0.004","16.181","0.004","17.45","0.004","90","","90","","90","","4568.8","1.9","","","180","","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C24 H166 Al4 N6 O64 Si4 -","- C23.96 Al4 N6 O61.6 Si4 -","- C47.92 Al8 N12 O123.2 Si8 -","2","0.125","","Grube, M.; Wiebcke, M.; Felsche, J.; Engelhardt, G.","Structural links between zeolite-type and clathrate hydrate-type materials: synthesis and crystal structure of [N(CH3)4]6[Al(x)Si(8-x)O(18-x)(OH)(2+x)].44H2O (x = 3-4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1098","1104","","","x-ray","0.71069","MoKα","","","0.072","","","0.089","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1521570","10.611","","10.611","","5.573","","90","","90","","90","","627.483","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Lu2 Ru3 Si5 -","- Lu2 Ru3 Si5 -","- Lu8 Ru12 Si20 -","4","0.25","","Morozkin, A.V.; Sviridov, I.A.","New ternary compounds in the Lu - (Ru, Rh) - (Si, Ge) systems","Journal of Alloys Compd.","2000","296","","4","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521877","10.747","","10.747","","5.695","","90","","90","","90","","657.761","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Sm2 Ru3 Si5","","- Ru3 Si5 Sm2 -","- Ru3 Si5 Sm2 -","- Ru12 Si20 Sm8 -","4","0.25","","Salamakha, P.S.; Sologub, O.L.; Bocelli, G.; Righi, L.","Single-crystal investigation of the compound Sm2 Ru3 Si5","Journal of Alloys Compd.","2000","299","","6","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","142093","2020-10-21","18:00:00",""
"1524081","11","","11","","5.652","","90","","90","","90","","683.892","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Nd2 Re3 Si5 -","- Nd2 Re3 Si5 -","- Nd8 Re12 Si20 -","4","0.25","","Bodak, O.I.; Pecharskii, V.K.; Gladyshevskii, E.I.","The system Y-Re-Si and the crystal structures of some new ternary rare earth compounds","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1978","14","","250","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525715","8.978","","8.978","","8.812","","90","","90","","90","","710.287","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Tl4 (Hg Br6)","","- Br6 Hg Tl4 -","- Br6 Hg Tl4 -","- Br12 Hg2 Tl8 -","2","0.125","","Brodersen, K.; Thiele, G.; Goerz, G.","Untersuchungen zur Struktur von Thallium(I)-halogeno-mercuraten(II)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1973","401","","217","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527143","9.446","","9.446","","9.26","","90","","90","","90","","826.241","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Tl4 Hg I6","","- Hg I6 Tl4 -","- Hg I6 Tl4 -","- Hg2 I12 Tl8 -","2","0.125","","Berthold, H.J.; Haas, D.; Thiele, G.; Tamme, R.; Jensen, K.P.; Messer, D.; Brodersen, K.","Die Kristallstruktur des Thallium(I) hexaiodomercurat(II) Tl4 Hg I6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","456","","29","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527787","9.489","","9.489","","19.13","","90","","90","","90","","1722.49","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Nb Se4 I0.33","","- I0.33 Nb Se4 -","- I0.333333 Nb Se4 -","- I4 Nb12 Se48 -","12","0.75","","Meerschaut, A.; Palvadeau, P.; Rouxel, J.","Preparation et structure cristalline de I0.33 Nb Se4 (I4 Nb12 Se48)","Journal of Solid State Chemistry","1977","20","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529637","11.903","","11.903","","8.021","","90","","90","","90","","1136.43","","","","","","","","","","","","","6","P 4/m n c","-P 4 2n","128","","K4 (Mo2 (S O4)4 Br) (H2 O)4","","- Br H8 K4 Mo2 O20 S4 -","- Br K4 Mo2 O20 S4 -","- Br2 K8 Mo4 O40 S8 -","2","0.125","","Bino, A.; Hutchinson, B.; Marler, D.O.; Farquharson, S.; Cotton, F.A.; Spencer, B.; Kincaid, J.","Structural and vibrational characteristics of the tetrasulfatodimolybdenum ions with Mo-Mo bond orders of 3.5 and 4.0","Inorganica Chimica Acta","1987","133","","295","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529655","6.48","","6.48","","9.45","","90","","90","","90","","396.809","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(N H4)3 (Sc F6)","","- F6 H12 N3 Sc -","- F6 H12 N3 Sc -","- F12 H24 N6 Sc2 -","2","0.125","","Bode, V.H.; Voss, E.","Strukturen der Hexafluorometallate(III)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1957","290","","1","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1529656","6.53","","6.53","","9.49","","90","","90","","90","","404.662","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(N H4)3 (In F6)","","- F6 H12 In N3 -","- F6 H12 In N3 -","- F12 H24 In2 N6 -","2","0.125","","Bode, V.H.; Voss, E.","Strukturen der Hexafluorometallate(III)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1957","290","","1","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1529930","7.745","","7.745","","11.68","","90","","90","","90","","700.625","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","Ba5 (Si4 O12) (O H)2","","- Ba5 H2 O14 Si4 -","- Ba5 H2 O14 Si4 -","- Ba10 H4 O28 Si8 -","2","0.125","","Filipenko, O.S.; Pobedimskaya, E.A.; Ponomarev, V.I.; Belov, N.V.; Kheiker, D.M.","Crystal structure of the synthetic barium silicate Ba5 (Si4 O12) (O H)2","Doklady Akademii Nauk SSSR","1970","194","","83","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1530054","11.065","","11.065","","6.862","","90","","90","","90","","840.144","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","(N H4)2 Pd (S6)1.88 (H2 O)2","","- H12 N2 O2 Pd S11.28 -","- N2 O2 Pd S11.28 -","- N4 O4 Pd2 S22.56 -","2","0.125","","Haradem, P.S.; Cronin, J.L.; Krause, R.A.; Katz, L.","Chemical and structural characterization of a palladium polysulfide, (N H4)2 Pd S11 (H2 O)2","Inorganica Chimica Acta","1977","25","","173","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530746","12.858","","12.858","","18.341","","90","","90","","90","","3032.28","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","H5 (P Mo10 V2 O40) (H2 O)36","","- H77 Mo10 O76 P V2 -","- Mo9.996 O76 P V2.004 -","- Mo19.992 O152 P2 V4.008 -","2","0.125","","Sergienko, V.S.; Yurchenko, E.N.; Porai-Koshits, M.A.","... I. A new 'pseudo-keggin' type structure in heteropolyacids H(3+n) (P Mo(12-n) Vn O40) (H2 O)m (n=2,3 m=3)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1980","21","","111","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530747","12.824","","12.824","","18.246","","90","","90","","90","","3000.65","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","H6 (P Mo9 V3 O40) (H2 O)30","","- H66 Mo9 O70 P V3 -","- Mo9 O70 P V3 -","- Mo18 O140 P2 V6 -","2","0.125","","Sergienko, V.S.; Porai-Koshits, M.A.; Yurchenko, E.N.","... I. A new 'pseudo-keggin' type structure in heteropolyacids H(3+n) (P Mo(12-n) Vn O40) (H2 O)m (n=2,3 m=3)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1980","21","","111","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531954","10.56","","10.56","","5.398","","90","","90","","90","","601.95","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Er2 Mn3 Si5 -","- Er2 Mn3 Si5 -","- Er8 Mn12 Si20 -","4","0.25","","Nirmala, R.; Sankaranarayanan, V.; Sethupathi, K.; Yelon, W.B.; Chu, Z.; Morozkin, A.V.; Malik, S.K.; Yamamoto, Y.; Hori, H.","Magnetic properties of Er2 Mn3 Si5","Journal of Alloys Compd.","2002","347","","9","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532093","10.73","","10.73","","5.707","","90","","90","","90","","657.063","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","Sm2 (Ru1.72 Os1.28) Si5","","- Os1.28 Ru1.72 Si5 Sm2 -","- Os1.28 Ru1.72 Si5 Sm2 -","- Os5.12 Ru6.88 Si20 Sm8 -","4","0.25","","Rizzoli, C.; Sologub, O.L.; Salamakha, P.S.","Single crystal investigation of Sm2 (Ru, Os)3 Si5","Journal of Alloys Compd.","2002","337","","4","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","157716","2020-10-21","18:00:00",""
"1532655","14.119","","14.119","","12.496","","90","","90","","90","","2491.03","","","","","","","","","","","","","7","P 4/m n c","-P 4 2n","128","","K4 H2 (Si W5 Mo6 Mn (H2 O) O39) (H2 O)22","","- H48 K4 Mn Mo6 O62 Si W5 -","- K4 Mn0.9996 Mo6 O62 Si W5.0004 -","- K8 Mn1.9992 Mo12 O124 Si2 W10.0008 -","2","0.125","","Dai Liyi; Gao Shiyang; Xia Shuping","Crystal structure of K4 H2 (Si W5 Mo6 Mn (H2 O) O39) * 22(H2 O)","Huaxue Yanjiu Yu Yingyong (Chem. Research and Application)","2002","14","","653","655","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532658","14.096","","14.096","","12.373","","90","","90","","90","","2458.48","","","","","","","","","","","","","6","P 4/m n c","-P 4 2n","128","","K4 H2 (Si W7 Mo4 Co (H2 O) O39) (H2 O)22","","- Co0.9996 K4 Mo3.9996 O57 Si W6.9996 -","- Co0.9996 K4 Mo3.9996 O57 Si W6.9996 -","- Co1.9992 K8 Mo7.9992 O114 Si2 W13.9992 -","2","0.125","","Dai Liyi; Shan Yongkui; He Mingyuan","Synthesis and structure of tetrabasic tungstomolybdosilicate complex with cobalt: K4 H2 (Si W7 Mo4 Co (H2 O) O39) * 22(H2 O)","Journal of Molecular Structure","2003","644","","165","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533058","10.762","","10.762","","5.796","","90","","90","","90","","671.296","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Nd2 Os3 Si5 -","- Nd2 Os3 Si5 -","- Nd8 Os12 Si20 -","4","0.25","","Rizzoli, C.; Salamakha, P.S.; Sologub, O.L.; Belletti, D.; Goncalves, A.P.; Almeida, M.","X-ray single-crystal investigation of rare earth osmium silicides","Journal of Alloys Compd.","2004","363","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533512","7.468","","7.468","","10.682","","90","","90","","90","","595.746","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Tl2 (Te Br6)","","- Br6 Te Tl2 -","- Br6 Te Tl2 -","- Br12 Te2 Tl4 -","2","0.125","","Sidey, V.I.; Kun, S.V.; Solomon, A.M.; Zubaka, O.V.; Peresh, E.Yu.","X-ray powder diffraction studies of Tl2 Te Br6 and Tl2 Te I6","Journal of Alloys Compd.","2004","367","","115","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534437","7.572","","7.572","","10.8","","90","","90","","90","","619.22","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","K2 (Te Br6)","","- Br6 K2 Te -","- Br6 K2 Te -","- Br12 K4 Te2 -","2","0.125","","Abriel, W.","Polymorphism and phase transitions of K2 Te Br6 (293-473 K)","Materials Research Bulletin","1983","18","","1419","1423","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534444","7.58","","7.58","","10.812","","90","","90","","90","","621.219","","","","","","","","","","","","","1","P 4/m n c","-P 4 2n","128","","K2 (Te Br6)","","- Te -","- Te -","- Te2 -","2","0.125","","Abriel, W.","Polymorphism and phase transitions of K2 Te Br6: a single crystal investigation of the high temperature phases (383 - 463 K)","Materials Research Bulletin","1984","19","","313","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535937","9.764","","9.764","","6.875","","90","","90","","90","","655.433","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(Pt (N H3)4) (Pt I4)","","- H12 I4 N4 Pt2 -","- H12 I4 N4 Pt2 -","- H24 I8 N8 Pt4 -","2","0.125","","Casas, J.S.; Sanchez-Gonzalez, A.; Romero, Y.; Parajo, Y.; Sordo, J.; Vazquez-Lopez, E.M.","The crystal structure of (Pt (N H3)4) (Pt I4): Comparison with Magnus green salt","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","980","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","163445","2020-10-21","18:00:00",""
"1536798","7.7436","","7.7436","","11.6403","","90","","90","","90","","697.991","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(N H4)2 (Re I6)","","- H8 I6 N2 Re -","- H8 I6 N2 Re -","- H16 I12 N4 Re2 -","2","0.125","","Kochel, A.","Synthesis, structure and magnetic susceptibility of ammonium hexaiodorhenate(IV)","Materials Science","2004","22","","69","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537258","14.2085","","14.2085","","12.4863","","90","","90","","90","","2520.75","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","Na4 (H2 O)8 Si Mo12 O40 (H2 O)6","","- H28 Mo12 Na4 O54 Si -","- Mo12 Na4 O54 Si -","- Mo24 Na8 O108 Si2 -","2","0.125","","Gao, S.; Cao, R.; Bi, W.; Li, X.; Lin, Z.","Porous structures constructed from [Si Mo12 O40] and [Si W12 O40] Keggin units","Microporous and Mesoporous Materials","2005","80","","139","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539640","9.06","","9.06","","9.754","","90","","90","","90","","800.643","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","In4 (Cd I6)","","- Cd I6 In4 -","- Cd I6 In4 -","- Cd2 I12 In8 -","2","0.125","","Beck, H.P.; Milius, W.","ns2 Cations as a prerequisite for a structure type and their interaction in ternary halides with the formula type A4BX6 (A: In, Tl; B: Cd, Pb, Ge; X: Cl, Br, I)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","562","","105","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539641","9.132","","9.132","","9.71234","","90","","90","","90","","809.945","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(In2.5 Tl1.5) (Cd I6)","","- Cd I6 In2.5 Tl1.5 -","- Cd I6 In2.5 Tl1.5 -","- Cd2 I12 In5 Tl3 -","2","0.125","","Beck, H.P.; Milius, W.","ns2 Cations as a prerequisite for a structure type and their interaction in ternary halides with the formula type A4BX6 (A: In, Tl; B: Cd, Pb, Ge; X: Cl, Br, I)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","562","","105","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539642","9.222","","9.222","","9.603","","90","","90","","90","","816.69","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Tl4 (Cd I6)","","- Cd I6 Tl4 -","- Cd I6 Tl4 -","- Cd2 I12 Tl8 -","2","0.125","","Beck, H.P.; Milius, W.","ns2 Cations as a prerequisite for a structure type and their interaction in ternary halides with the formula type A4BX6 (A: In, Tl; B: Cd, Pb, Ge; X: Cl, Br, I)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","562","","105","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539643","9.246","","9.246","","9.594","","90","","90","","90","","820.177","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(Rb.2 Tl3.8) (Cd I6)","","- Cd I6 Rb0.2 Tl3.8 -","- Cd I6 Rb0.2 Tl3.8 -","- Cd2 I12 Rb0.4 Tl7.6 -","2","0.125","","Beck, H.P.; Milius, W.","ns2 Cations as a prerequisite for a structure type and their interaction in ternary halides with the formula type A4BX6 (A: In, Tl; B: Cd, Pb, Ge; X: Cl, Br, I)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","562","","105","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541961","7.403","","7.403","","10.468","","90","","90","","90","","573.693","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","Ca2 Dy3 Sb3 O14","","- Ca2 Dy3 O14 Sb3 -","- Ca2 Dy3 O14 Sb3 -","- Ca4 Dy6 O28 Sb6 -","2","0.125","","Burchard, G.; Ruedorff, W.","Polynaere Oxide A5 B3 O14 mit Chiolithstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","445","","79","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","173816","2020-10-21","18:00:00",""
"1544635","17.5471","0.00008","17.5471","0.00008","62.6742","0.0005","90","","90","","90","","19297.4","0.2","140","0.1","140","0.1","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C264 H306 B20 F16 Fe8 N62 O56 Pd2 -","- C264 H306 B20 F16 Fe8 N62 O56 Pd2 -","- C528 H612 B40 F32 Fe16 N124 O112 Pd4 -","2","0.125","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.0673","0.0653","","","0.1649","0.1667","","","","","","1.02","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1547886","18.6841","0.0007","18.6841","0.0007","34.6796","0.0017","90","","90","","90","","12106.5","0.9","120.03","0.1","120.03","0.1","","","","","","","","6","P 4/m n c","-P 4 2n","128","MFM-188","","","- C92 H173 Cu4 N9 O49 S6 -","- C48 H30 Cu4 N4 O24 -","- C192 H120 Cu16 N16 O96 -","4","0.25","","Florian Moreau; Ivan da Silva; Nada H. Al Smail; Timothy L. Easun; Mathew Savage; Harry G. W. Godfrey; Stewart F. Parker; Pascal Manuel; Sihai Yang; Martin Schroder","Unravelling exceptional acetylene and carbon dioxide adsorption within a tetra-amide functionalized metal-organic framework","Nature Communications","2017","8","","14085","","10.1038/ncomms14085","","x-ray","1.54184","CuKα","","0.1305","0.0855","","","0.2263","0.2746","","","","","","0.915","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1547887","18.7721","0.0004","18.7721","0.0004","34.7704","0.0014","90","","90","","90","","12252.8","0.6","10","","10","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","MFM-188_empty","- C24 H11 Cu2 N2 O10 -","- C24 H11 Cu2 N2 O10 -","- C192 H88 Cu16 N16 O80 -","8","0.5","","Florian Moreau; Ivan da Silva; Nada H. Al Smail; Timothy L. Easun; Mathew Savage; Harry G. W. Godfrey; Stewart F. Parker; Pascal Manuel; Sihai Yang; Martin Schroder","Unravelling exceptional acetylene and carbon dioxide adsorption within a tetra-amide functionalized metal-organic framework","Nature Communications","2017","8","","14085","","10.1038/ncomms14085","powder diffraction","","","neutron","","1.13032","","","","","","","","6.49093","","","","","","","has coordinates","202890","2020-10-21","18:00:00",""
"1550989","17.439","0.003","17.439","0.003","22.592","0.005","90","","90","","90","","6871","2","250","2","250","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C64 H50 O43 Zr6 -","- C64 H29 O43 Zr6 -","- C128 H58 O86 Zr12 -","2","0.125","","Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo","Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations","Chemical Science","2019","","","","","10.1039/C9SC01301F","","","0.7","synchrotron","","0.0842","0.071","","","0.2047","0.215","","","","","","1.08","","","","has coordinates,has disorder","214980","2020-10-21","18:00:00",""
"1552078","32.76","0.004","32.76","0.004","35.29","0.004","90","","90","","90","","37874","8","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C264 H280 N32 O16 Pd8 Zn2 -","- C11.234 H11.9149 N1.3617 O0.680851 Pd0.340426 Zn0.0851064 -","- C528 H560 N64 O32 Pd16 Zn4 -","47","2.9375","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.2777","0.2481","","","0.4594","0.4865","","","","","","3.84","","","","has coordinates","216897","2020-10-21","18:00:00",""
"1552079","32.16","","32.16","","34.85","","90","","90","","90","","36044.2","","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C340 H280 N32 O16 Pd8 Zn2 -","- C28.3333 H23.3333 N2.66667 O1.33333 Pd0.666667 Zn0.166667 -","- C680 H560 N64 O32 Pd16 Zn4 -","24","1.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.3349","0.267","","","0.4862","0.5691","","","","","","2.623","","","","has coordinates,has disorder","216898","2020-10-21","18:00:00",""
"1552080","32.202","0.004","32.202","0.004","34.972","0.005","90","","90","","90","","36265","8","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C380 H280 N23 O16 Pd8 Z -","- C31.6667 H23.3333 N2.66667 O1.33333 Pd0.666667 Zn0.166667 -","- C760 H560 N64 O32 Pd16 Zn4 -","24","1.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.3899","0.301","","","0.4971","0.5571","","","","","","2.922","","","","has coordinates,has disorder","216899","2020-10-21","18:00:00",""
"1559046","12.741","0.004","12.741","0.004","13.871","0.004","90","","90","","90","","2251.7","1.2","100","2","100","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","C6H6Â.[(C6H11NC)2Au]AsF6","","","- C20 H28 As Au F6 N2 -","- C20 H28 As Au F6 N2 -","- C80 H112 As4 Au4 F24 N8 -","4","0.25","","Luong, Lucy M. C.; Lowe, Christopher D.; Adams, Alexandria V.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals.","Chemical Science","2020","","","","","10.1039/D0SC03299A","","","0.71073","MoKα","","0.0362","0.0304","","","0.0922","0.0984","","","","","","1.119","","","","has coordinates,has disorder","256329","2020-10-21","18:00:00",""
"1559047","12.948","0.004","12.948","0.004","13.943","0.004","90","","90","","90","","2337.6","1.2","100","2","100","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","C6H6Â.[(C6H11NC)2Au]SbF6","","","- C20 H28 Au F6 N2 Sb -","- C20 H28 Au F6.002 N2 Sb -","- C80 H112 Au4 F24.008 N8 Sb4 -","4","0.25","","Luong, Lucy M. C.; Lowe, Christopher D.; Adams, Alexandria V.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals.","Chemical Science","2020","","","","","10.1039/D0SC03299A","","","0.71073","MoKα","","0.0568","0.0357","","","0.0848","0.0946","","","","","","1.168","","","","has coordinates,has disorder","256329","2020-10-21","18:00:00",""
"1563569","10.7276","0.0002","10.7276","0.0002","5.7615","0.0001","90","","90","","90","","663.04","0.02","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Eu2 Os3 Si5 -","- Eu2 Os3 Si5 -","- Eu8 Os12 Si20 -","4","0.25","","Gribanov, Alexander; Grytsiv, Andriy; Rogl, Peter; Seropegin, Yurii; Giester, Gerald","X-ray structural study of intermetallic alloys RT2Si and RTSi2 (R=rare earth, T=noble metal)","Journal of Solid State Chemistry","2010","183","6","1278","1289","10.1016/j.jssc.2010.03.038","","","0.71069","MoKα","","0.035","0.0337","","","0.0775","0.0779","","","","","","1.485","","","","has coordinates","266560","2021-06-18","08:38:47",""
"1563730","7.91","0.002","7.91","0.002","11.883","0.003","90","","90","","90","","743.5","0.3","113","2","113","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- F14 In3 K5 -","- F14 In3 K5 -","- F28 In6 K10 -","2","0.125","","Jayasundera, Anil C.A.; Goff, Richard J.; Li, Yang; Finch, Adrian A.; Lightfoot, Philip","Solvothermal indium fluoride chemistry: Syntheses and crystal structures of K5In3F14, β-(NH4)3InF6 and [NH4]3[C6H21N4]2[In4F21]","Journal of Solid State Chemistry","2010","183","2","356","360","10.1016/j.jssc.2009.11.022","","","0.71073","MoKα","","0.0318","0.0268","","","0.1132","0.12","","","","","","1.013","","","","has coordinates","266733","2021-06-28","09:29:20",""
"1564165","16.0083","0.0006","16.0083","0.0006","29.6119","0.0011","90","","90","","90","","7588.5","0.5","120","2","120","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C67 H90 Cl3 Co2 N19 O10 -","- C64 H64 Co2 N19 O2 -","- C256 H256 Co8 N76 O8 -","4","0.25","","Wang, Min-Min; Wang, Chun; Wang, Miao; Wang, Jin; Zhu, Jin-Li; Hu, Lan-Ping; Sun, Tong-Ming; Tang, Yan-Feng","Synthesis and magnetic property of a cobalt complex constructed by a linear Co‒NNN‒Co unit","Inorganica Chimica Acta","2020","511","","119804","","10.1016/j.ica.2020.119804","","","1.54184","CuKα","","0.1262","0.0802","","","0.2172","0.2487","","","","","","1.074","","","","has coordinates","267553","2021-07-15","09:00:36",""
"2001810","9.45","0.001","9.45","0.001","19.068","0.009","90","","90","","90","","1702.8","0.8","300","","","","","","","","","","","3","P 4/m n c","-P 4 2n","","","","","- In Nb3 Se12 -","- In Nb3 Se12 -","- In4 Nb12 Se48 -","4","0.25","MU1022","Deng, S.; Zhuang, H.; Huang, Jinshun; Huang, Jingling","A new one-dimensional compound: synthesis and structure of InNb~3~(Se~2~)~6~","Acta Crystallographica Section C","1993","49","4","786","788","10.1107/S0108270192010904","","","0.71069","MoKα","","","0.045","","","0.051","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100725","9.615","0.001","9.615","0.001","11.362","0.003","90","","90","","90","","1050.4","0.3","","","","","","","","","","","","3","P 4/m n c","","","","","","- Mo8 O24 Pb3 -","- Mo8 O8 Pb2 -","- Mo16 O16 Pb4 -","2","0.125","CR0294","Wang, S.-L.; Yeh, J.-Y.","Pb^2+^ cation ordering in Pb~3~(Mo~4~O~6~)~4~","Acta Crystallographica Section B","1991","47","4","446","451","10.1107/S0108768191001672","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100726","9.615","0.001","9.615","0.001","11.362","0.003","90","","90","","90","","1050.4","0.3","","","","","","","","","","","","3","P 4/m n c","","","","","","- Mo16 O24 Pb3 -","- Mo16 O24 Pb7 -","- Mo32 O48 Pb14 -","2","0.125","CR0294","Wang, S.-L.; Yeh, J.-Y.","Pb^2+^ cation ordering in Pb~3~(Mo~4~O~6~)~4~","Acta Crystallographica Section B","1991","47","4","446","451","10.1107/S0108768191001672","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106362","9.425","","9.425","","17.085","","90","","90","","90","","1517.67","","","","","","","","","","","","","7","P 4/m n c","-P 4 2n","128","","Ba (Pt (C N)4 Br2) (H2 O)4.5","","- C4 H9 Ba Br2 N4 O4.5 Pt -","- C4 H9 Ba Br2 N4 O4.5 Pt -","- C16 H36 Ba4 Br8 N16 O18 Pt4 -","4","0.25","","Koch, T.R.; Johnson, P.L.; Washecheck, D.M.; Cornish, T.L.; Williams, J.M.","Structural studies of precursor and partially oxidized conducting complexes. XI. A neutron diffraction study of barium dibromotetracyanoplatinate(IV) hydrate","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3249","3251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106476","10.53","","10.53","","8.42","","90","","90","","90","","933.617","","","","","","","","","","","","","2","P 4/m n c","-P 4 2n","128","","Na9 (S O4)4 Cl (H2 O2)2","","- O20 S4 -","- O20 S4 -","- O40 S8 -","2","0.125","","Adams, J.M.; Pritchard, R.G.","The crystal structure of (Na2 S O4)4 (H2 O2)2 Na Cl","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1428","1432","","","","","","","","","","","","","","","","","","","","","","has coordinates","150291","2020-10-21","18:00:00",""
"2106487","7.0577","","7.0577","","9.9784","","90","","90","","90","","497.035","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","K2 (Sn Cl6)","","- Cl6 K2 Sn -","- Cl6 K2 Sn -","- Cl12 K4 Sn2 -","2","0.125","","Boysen, H.; Hewat, A.W.","A neutron powder investigation of the structural changes in K2 Sn Cl6","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1412","1418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106652","11.9597","0.0019","11.9597","0.0019","11.6747","0.0019","90","","90","","90","","1669.9","0.5","296","2","296","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","Ammonium heptafluorotitanate","Ammonium heptafluorotitanate","","- F7 H12 N3 Ti -","- F7 H12 N3 Ti -","- F56 H96 N24 Ti8 -","8","0.5","BP5070","Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.","Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","6","924","931","10.1107/s2052520614021192","","","0.71073","MoKα","","0.0999","0.048","","","0.1204","0.1524","","","","","","1.068","","","","has coordinates,has Fobs","218953","2020-10-21","18:00:00",""
"2106713","9.036","","9.036","","6.441","","90","","90","","90","","525.903","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","(Cu (N H3)4) (Pt Cl4)","","- Cl4 Cu H12 N4 Pt -","- Cl4 Cu H12 N4 Pt -","- Cl8 Cu2 H24 N8 Pt2 -","2","0.125","","Morosin, B.; Valentine, J. S.; Fallon, P.","Structures of Becton's Pt (N H3)4 Cu Cl4 and Millon's Cu (N H3)4 Pt Cl4 salts","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2220","2223","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2106813","10.527","","10.527","","8.4079","","90","","90","","90","","931.744","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","(Na2 (S O4))4 (D2 O2)2 (Na Cl)","","- Cl D4 Na9 O20 S4 -","- Cl D4 Na9 O20 S4 -","- Cl2 D8 Na18 O40 S8 -","2","0.125","","Adams, J.M.; Hewat, A.W.; Ramdas, V.","Neutron profile refinement of (Na2 S O4)4 (D2 O2)2 Na Cl","Acta Crystallographica B (24,1968-38,1982)","1981","37","","915","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2240191","10.95564","0.00013","10.95564","0.00013","5.56326","0.00011","90","","90","","90","","667.736","0.017","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Digadolinium trirhenium pentasilicide","","- Gd2 Re3 Si5 -","- Gd2 Re3 Si5 -","- Gd8 Re12 Si20 -","4","0.25","FJ2683","Fedyna, Vitaliia; Kozak, Roksolana; Gladyshevskii, Roman","Crystal structure of the ternary silicide Gd~2~Re~3~Si~5~","Acta Crystallographica Section E","2014","70","12","469","470","10.1107/S1600536814024234","","","0.71073","MoKα","","0.0267","0.0253","","","0.0621","0.0628","","","","","","1.168","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2310970","8.5621","","8.5621","","11.5288","","90","","90","","90","","845.171","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","Na K5 Cl2 (S2 O6)2","","- Cl2 K5 Na O12 S4 -","- Cl2 K5 Na O12 S4 -","- Cl4 K10 Na2 O24 S8 -","2","0.125","","Stanley, E.","The crystal structures of two potassium sodium chloride dithionates","Acta Crystallographica (1,1948-23,1967)","1953","6","","187","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001792","9.1758","0.0013","9.1758","0.0013","9.5879","0.0019","90","","90","","90","","807.3","0.2","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- I4 S Tl6 -","- I4 S Tl6 -","- I8 S2 Tl12 -","2","0.125","","Nguyen, Sandy L.; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Zhao, Li-Dong; Sebastian, Maria; Jin, Hosub; Li, Hao; Johnsen, Simon; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Photoconductivity in Tl6SI4: A Novel Semiconductor for Hard Radiation Detection","Chemistry of Materials","2013","25","14","2868","","10.1021/cm401406j","","","0.71073","MoKα","","0.0584","0.048","","","0.0891","0.0912","","","","","","1.388","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4030859","7.2834","0.0003","7.2834","0.0003","19.403","0.001","90","","90","","90","","1029.29","0.08","","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Br10 H12 N4 Ta2 -","- Br10 H12 N4 Ta2 -","- Br20 H24 N8 Ta4 -","2","0.125","","Simon, M.; Meyer, G.","Action of ammonium chloride and bromide on vanadium, niobium and tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5], (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)","European Journal of Solid State and Inorganic Chemistry","1997","34","","73","84","","","x-ray","0.71073","MoKα","","","0.0425","","","0.082","","","","","","","","","","","has coordinates","189051","2020-10-21","18:00:00",""
"4104990","16.9134","0.0003","16.9134","0.0003","34.344","0.001","90","","90","","90","","9824.6","0.4","100","2","100","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C128 H179 B8 N68 O26 Pd6 -","- C128 H183.04 B8 N68 O26.04 Pd6 -","- C256 H366.08 B16 N136 O52.08 Pd12 -","2","0.125","","Zheng Lu; Carolyn B. Knobler; Hiroyasu Furukawa; Bo Wang; Guannan Liu; Omar M. Yaghi","Synthesis and Structure of Chemically Stable Metal-Organic Polyhedra","Journal of the American Chemical Society","2009","131","","12532","12533","10.1021/ja905101s","","","1.54178","CuKα","","0.0879","0.0824","","","0.1945","0.1986","","","","","","1.106","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104991","16.9134","0.0003","16.9134","0.0003","34.344","0.001","90","","90","","90","","9824.6","0.4","100","2","100","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C128 H160 B8 N64 Pd6 -","- C128 H160 B8 N64 Pd6 -","- C256 H320 B16 N128 Pd12 -","2","0.125","","Zheng Lu; Carolyn B. Knobler; Hiroyasu Furukawa; Bo Wang; Guannan Liu; Omar M. Yaghi","Synthesis and Structure of Chemically Stable Metal-Organic Polyhedra","Journal of the American Chemical Society","2009","131","","12532","12533","10.1021/ja905101s","","","1.54178","CuKα","","0.0655","0.0618","","","0.1558","0.1587","","","","","","1.069","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4106340","9.178","0.003","9.178","0.003","9.675","0.002","90","","90","","90","","815","0.4","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Hexathallium Tetraiodide Selenide","","- I4 Se Tl6 -","- I4 Se Tl6 -","- I8 Se2 Tl12 -","2","0.125","","Simon Johnsen; Zhifu Liu; John A. Peters; Jung-Hwan Song; Sandy Nguyen; Christos D. Malliakas; Hosub Jin; Arthur J. Freeman; Bruce W. Wessels; Mercouri G. Kanatzidis","Thallium Chalcohalides for X-ray and γ-ray Detection","Journal of the American Chemical Society","2011","133","","10030","10033","10.1021/ja202540t","","","","","","0.129","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113438","11.4008","0.0009","11.4008","0.0009","9.0745","0.001","90","","90","","90","","1179.49","0.19","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Os3 Sc14 Te8 -","- Os3 Sc13.826 Te8 -","- Os6 Sc27.652 Te16 -","2","0.125","","Ling Chen; John D. Corbett","Remarkable Metal-Rich Ternary Chalcogenides Sc14M3Te8 (M = Ru, Os)","Journal of the American Chemical Society","2003","125","","1170","1171","10.1021/ja0291540","","","0.71073","MoKα","","0.0184","0.0169","","","0.0369","0.0375","","","","","","0.992","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113439","11.3332","0.0004","11.3332","0.0004","9.0793","0.0005","90","","90","","90","","1166.16","0.09","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Ru3 Sc14 Te8 -","- Ru3 Sc13.218 Te8 -","- Ru6 Sc26.436 Te16 -","2","0.125","","Ling Chen; John D. Corbett","Remarkable Metal-Rich Ternary Chalcogenides Sc14M3Te8 (M = Ru, Os)","Journal of the American Chemical Society","2003","125","","1170","1171","10.1021/ja0291540","","","0.71073","MoKα","","0.0571","0.0275","","","0.0433","0.0489","","","","","","1.034","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113892","18.555","0.003","18.555","0.003","15.958","0.003","90","","90","","90","","5494.1","1.6","173","2","173","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C51 H48.5 Ag2 B2 F8 N9.5 -","- C51 H48 Ag2 B2 F8 N9.5 -","- C204 H192 Ag8 B8 F32 N38 -","4","0.25","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.145","0.0855","","","0.2623","0.2933","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116488","8.258","0.001","8.258","0.001","12.471","0.002","90","","90","","90","","850.5","0.2","300","2","300","2","","","","","","","synthetic","5","P 4/m n c","-P 4 2n","128","","Hexakis(carbonyl)iron(II) hexafluoroantimonate(V),","","- C6 F12 Fe O6 Sb2 -","- C6 F12 Fe O6 Sb2 -","- C12 F24 Fe2 O12 Sb4 -","2","0.125","","Eduard Bernhardt; Bianca Bley; Rudolf Wartchow; Helge Willner; Eckhard Bill; Peter Kuhn; Iona H. T. Sham; Matthias Bodenbinder; Raimund Bröchler; Friedhelm Aubke","Hexakis(carbonyl)iron(II) Undecafluorodiantimonate(V), [Fe(CO)6][Sb2F11]2, and -Hexafluoroantimonate(V), [Fe(CO)6][SbF6]2, Their Syntheses, and Spectroscopic and Structural Characterization by Single Crystal X-ray Diffraction and Normal Coordinate Analysis","Journal of the American Chemical Society","1999","121","","7188","7200","10.1021/ja990958y","","","0.71073","MoKα","","0.0377","0.0259","","0.0668","","0.0626","","","1.026","","","1.13","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4119556","8.242","0.006","8.242","0.006","11.584","0.01","90","","90","","90","","786.9","1.1","113","2","113","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Co K N8 -","- C10 H16 Co K N8 -","- C20 H32 Co2 K2 N16 -","2","0.125","","Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong","Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal","Journal of the American Chemical Society","2013","135","","5230","5233","10.1021/ja3110335","","","0.71073","MoKα","","0.0567","0.0565","","","0.119","0.1191","","","","","","1.369","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119557","8.2895","0.0013","8.2895","0.0013","11.621","0.003","90","","90","","90","","798.5","0.3","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Co K N8 -","- C10 H16 Co K N8 -","- C20 H32 Co2 K2 N16 -","2","0.125","","Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong","Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal","Journal of the American Chemical Society","2013","135","","5230","5233","10.1021/ja3110335","","","0.71073","MoKα","","0.0348","0.0344","","","0.0904","0.0906","","","","","","1.412","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119558","8.2371","0.0013","8.2371","0.0013","11.6","0.004","90","","90","","90","","787.1","0.3","113","2","113","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C10 H12 Co D4 K N8 -","- C10 H12 Co D4 K N8 -","- C20 H24 Co2 D8 K2 N16 -","2","0.125","","Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong","Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal","Journal of the American Chemical Society","2013","135","","5230","5233","10.1021/ja3110335","","","0.71073","MoKα","","0.0926","0.0926","","","0.198","0.198","","","","","","1.31","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119559","8.277","0.005","8.277","0.005","11.622","0.009","90","","90","","90","","796.2","0.9","280","2","280","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C10 H12 Co D4 K N8 -","- C10 H12 Co D4 K N8 -","- C20 H24 Co2 D8 K2 N16 -","2","0.125","","Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong","Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal","Journal of the American Chemical Society","2013","135","","5230","5233","10.1021/ja3110335","","","0.71073","MoKα","","0.0498","0.0487","","","0.117","0.1179","","","","","","1.228","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4121622","17.985","0.003","17.985","0.003","14.597","0.003","90","","90","","90","","4721.5","1.5","293","2","293","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C12 H74 Cd4 Ge12 N8 O71 V14 -","- C12 Cd4 Ge12 N8 O71 V14 -","- C24 Cd8 Ge24 N16 O142 V28 -","2","0.125","","Zhou, Jian; Zhao, Jun-Wei; Wei, Qi; Zhang, Jie; Yang, Guo-Yu","Two Tetra-Cd(II)-Substituted Vanadogermanate Frameworks.","Journal of the American Chemical Society","2014","136","13","5065","5071","10.1021/ja413218w","","","0.71073","MoKα","","0.0499","0.0487","","","0.1415","0.1426","","","","","","1.102","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121623","17.682","0.004","17.682","0.004","14.556","0.003","90","","90","","90","","4551","1.7","293","2","293","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C8 H66 Cd4 Ge12 N8 O71 V14 -","- C8 H32 Cd4 Ge12 N8 O71 V14 -","- C16 H64 Cd8 Ge24 N16 O142 V28 -","2","0.125","","Zhou, Jian; Zhao, Jun-Wei; Wei, Qi; Zhang, Jie; Yang, Guo-Yu","Two Tetra-Cd(II)-Substituted Vanadogermanate Frameworks.","Journal of the American Chemical Society","2014","136","13","5065","5071","10.1021/ja413218w","","","0.71073","MoKα","","0.0529","0.0523","","","0.1342","0.1347","","","","","","1.092","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4124621","9.03","","9.03","","6.49","","90","","90","","90","","529.2","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(Pt (N H3)4) (Pt Cl4)","","- Cl4 H12 N4 Pt2 -","- Cl4 N4 Pt2 -","- Cl8 N8 Pt4 -","2","0.125","","Atoji, M.; Rundle, R.E.; Richardson, J.W.jr.","On the crystal structures of the magnus salts, Pt (N H3)4 Pt Cl4","Journal of the American Chemical Society","1957","79","","3017","3020","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4125883","11.0201","0.0016","11.0201","0.0016","5.8525","0.0012","90","","90","","90","","710.7","0.2","298","2","298","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Ge5 Pr2 Ru3 -","- Ge5 Pr2 Ru3 -","- Ge20 Pr8 Ru12 -","4","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud'ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.","Charge Density Wave in the New Polymorphs of RE2Ru3Ge5 (RE = Pr, Sm, Dy).","Journal of the American Chemical Society","2017","139","11","4130","4143","10.1021/jacs.7b00284","","","0.71073","MoKα","","0.0281","0.028","","","0.0677","0.0677","","","","","","1.565","","","","has coordinates","194740","2020-10-21","18:00:00",""
"4125884","10.9816","0.0016","10.9816","0.0016","5.7773","0.0012","90","","90","","90","","696.7","0.2","298","2","298","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Ge5 Ru3 Sm2 -","- Ge5 Ru3 Sm2 -","- Ge20 Ru12 Sm8 -","4","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud'ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.","Charge Density Wave in the New Polymorphs of RE2Ru3Ge5 (RE = Pr, Sm, Dy).","Journal of the American Chemical Society","2017","139","11","4130","4143","10.1021/jacs.7b00284","","","0.71073","MoKα","","0.0293","0.0291","","","0.068","0.0681","","","","","","1.466","","","","has coordinates","194740","2020-10-21","18:00:00",""
"4125885","10.9272","0.0015","10.9272","0.0015","5.697","0.0011","90","","90","","90","","680.24","0.19","298","2","298","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Dy2 Ge5 Ru3 -","- Dy2 Ge5 Ru3 -","- Dy8 Ge20 Ru12 -","4","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud'ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.","Charge Density Wave in the New Polymorphs of RE2Ru3Ge5 (RE = Pr, Sm, Dy).","Journal of the American Chemical Society","2017","139","11","4130","4143","10.1021/jacs.7b00284","","","0.71073","MoKα","","0.0293","0.0292","","","0.0685","0.0686","","","","","","1.269","","","","has coordinates","194740","2020-10-21","18:00:00",""
"4127023","22.9804","0.0003","22.9804","0.0003","20.1589","0.0004","90","","90","","90","","10645.9","0.3","270","0.1","270","0.1","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C52 H92 Ag14 B60 N8 S12 -","- C52 H92 Ag14 B60 N8 S12 -","- C104 H184 Ag28 B120 N16 S24 -","2","0.125","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0755","0.0686","","","0.2279","0.2359","","","","","","1.099","","","","has coordinates,has disorder","205096","2020-10-21","18:00:00",""
"4128034","22.3176","0.0005","22.3176","0.0005","38.8607","0.0008","90","","90","","90","","19355.6","0.7","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C62 H24 O16 Zr3 -","- C62 H24 O16 Zr3 -","- C248 H96 O64 Zr12 -","4","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","1.54184","CuKα","","0.1153","0.0512","","","0.1417","0.1649","","","","","","0.794","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4130134","30.4471","0.0019","30.4471","0.0019","21.8623","0.0014","90","","90","","90","","20267","2","192","2","192","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C264 H236 Cl6 Co20 N8 O52 S16 -","- C264 H236 Cl6 Co20 N8 O52 S16 -","- C528 H472 Cl12 Co40 N16 O104 S32 -","2","0.125","","Hang, Xinxin; Liu, Bing; Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping; Liu, Yunling; Hu, Chunhua","Discrete {Ni40} Coordination Cage: A Calixarene-Based Johnson-Type (J17) Hexadecahedron.","Journal of the American Chemical Society","2016","138","9","2969","2972","10.1021/jacs.6b00695","","","0.71073","MoKα","","0.1101","0.0615","","","0.1864","0.2141","","","","","","1.064","","","","has coordinates,has disorder","240696","2020-10-21","18:00:00",""
"4131832","18.8699","0.0009","18.8699","0.0009","33.0822","0.0013","90","","90","","90","","11779.7","0.9","120","2","120","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","MFM-133(Hf)","","","- C91 H141 Hf3 N9 O25 -","- C46 H34 Hf3 O16 -","- C184 H136 Hf12 O64 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","","1.54184","CuKα","","0.0841","0.052","","","0.1241","0.1339","","","","","","0.907","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131833","19.5041","0.0013","19.5041","0.0013","32.072","0.003","90","","90","","90","","12200.5","1.6","295","2","295","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 Hf6 O32 -","- C176 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2378","0.1388","","","0.3201","0.3972","","","","","","1.062","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131834","19.4378","0.0011","19.4378","0.0011","32.104","0.002","90","","90","","90","","12129.8","1.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.165","0.132","","","0.3347","0.3654","","","","","","1.475","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131835","19.3567","0.0016","19.3567","0.0016","32.036","0.004","90","","90","","90","","12003","2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2197","0.1606","","","0.402","0.4427","","","","","","1.432","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131836","19.465","0.002","19.465","0.002","32.371","0.005","90","","90","","90","","12265","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.415","0.2877","","","0.524","0.6662","","","","","","1.244","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131837","19.343","0.0008","19.343","0.0008","32.3072","0.0019","90","","90","","90","","12087.8","1","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H56 Hf6 O32 -","- C184 H112 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.1321","0.1086","","","0.2772","0.3039","","","","","","1.073","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131838","19.3785","0.001","19.3785","0.001","32.523","0.002","90","","90","","90","","12213.2","1.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C50 H28 Hf3 O16 -","- C200 H112 Hf12 O64 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1566","0.1084","","","0.295","0.343","","","","","","1.167","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131839","19.177","0.002","19.177","0.002","32.827","0.005","90","","90","","90","","12072","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3583","0.2051","","","0.4583","0.5498","","","","","","0.964","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131840","19.1867","0.0013","19.1867","0.0013","32.543","0.003","90","","90","","90","","11980","1.6","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C96 H68 Hf6 O32 -","- C192 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","","0.71073","MoKα","","0.3713","0.18","","","0.3851","0.4902","","","","","","1.079","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131841","19.1631","0.001","19.1631","0.001","32.547","0.002","90","","90","","90","","11952.1","1.1","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.1699","0.1397","","","0.3629","0.3875","","","","","","1.573","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131842","19.082","0.0012","19.082","0.0012","32.674","0.003","90","","90","","90","","11897.3","1.5","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2067","0.1708","","","0.4262","0.4548","","","","","","1.799","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131843","18.9396","0.0011","18.9396","0.0011","32.817","0.002","90","","90","","90","","11771.7","1.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2039","0.1637","","","0.4166","0.4608","","","","","","1.906","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131844","19.079","0.003","19.079","0.003","32.905","0.005","90","","90","","90","","11978","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","synchrotron","","0.236","0.145","","","0.331","0.421","","","","","","1.052","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131845","18.932","0.0012","18.932","0.0012","33.138","0.002","90","","90","","90","","11877.3","1.3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1961","0.1269","","","0.3382","0.3995","","","","","","1.295","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131846","18.8445","0.0013","18.8445","0.0013","32.896","0.003","90","","90","","90","","11681.9","1.6","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C96 H68 Hf6 O32 -","- C192 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2108","0.1723","","","0.422","0.4635","","","","","","1.824","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131847","18.243","0.002","18.243","0.002","33.845","0.006","90","","90","","90","","11264","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.4143","0.2035","","","0.434","0.5424","","","","","","1.339","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131848","19.0173","0.0006","19.0173","0.0006","32.8783","0.0009","90","","90","","90","","11890.7","0.6","120","","120","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","1.54184","CuKα","","0.069","0.0448","","","0.1147","0.1258","","","","","","0.899","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131849","19.4481","0.0019","19.4481","0.0019","32.575","0.006","90","","90","","90","","12321","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3649","0.1801","","","0.374","0.4885","","","","","","0.989","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131850","19.3348","0.0012","19.3348","0.0012","32.768","0.005","90","","90","","90","","12250","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3788","0.2144","","","0.4531","0.5525","","","","","","1.301","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131851","19.188","0.0012","19.188","0.0012","32.964","0.006","90","","90","","90","","12137","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3406","0.178","","","0.3998","0.4999","","","","","","1.293","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131852","19.1326","0.0013","19.1326","0.0013","33.039","0.006","90","","90","","90","","12094","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3791","0.2042","","","0.4157","0.5289","","","","","","1.296","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131853","18.9366","0.0011","18.9366","0.0011","32.864","0.003","90","","90","","90","","11784.9","1.4","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.3834","0.145","","","0.3638","0.4959","","","","","","0.937","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131854","19.1146","0.0012","19.1146","0.0012","33.047","0.005","90","","90","","90","","12074","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3472","0.1776","","","0.3963","0.5058","","","","","","1.271","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131855","19.0765","0.0014","19.0765","0.0014","33.061","0.005","90","","90","","90","","12031","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3804","0.191","","","0.4183","0.5421","","","","","","1.3","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131856","19.037","0.0014","19.037","0.0014","33.159","0.005","90","","90","","90","","12017","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3506","0.1662","","","0.382","0.4981","","","","","","1.18","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131857","19.0243","0.0015","19.0243","0.0015","33.174","0.006","90","","90","","90","","12006","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3295","0.1638","","","0.3932","0.4967","","","","","","1.217","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131858","19.041","0.0014","19.041","0.0014","33.134","0.006","90","","90","","90","","12013","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3397","0.1642","","","0.3871","0.4932","","","","","","1.204","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131859","19.0375","0.0016","19.0375","0.0016","33.133","0.006","90","","90","","90","","12008","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2268","0.1198","","","0.34","0.4225","","","","","","1.085","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131860","19.0042","0.0019","19.0042","0.0019","33.152","0.007","90","","90","","90","","11973","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3408","0.1411","","","0.3478","0.4666","","","","","","1.071","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131861","18.779","0.003","18.779","0.003","33.087","0.007","90","","90","","90","","11668","4","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.302","0.1109","","","0.2928","0.3934","","","","","","0.9","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131862","18.8806","0.001","18.8806","0.001","33.2413","0.0018","90","","90","","90","","11849.8","1.1","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1607","0.1168","","","0.3625","0.4047","","","","","","1.352","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131863","18.9111","0.0011","18.9111","0.0011","33.1966","0.0017","90","","90","","90","","11872.1","1.2","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2495","0.2185","","","0.5607","0.5855","","","","","","2.211","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131864","18.9092","0.0011","18.9092","0.0011","33.2222","0.0018","90","","90","","90","","11878.9","1.2","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1488","0.1018","","","0.3283","0.3709","","","","","","1.219","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131865","19.1734","0.0016","19.1734","0.0016","33.032","0.006","90","","90","","90","","12143","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2984","0.1407","","","0.3593","0.4563","","","","","","1.135","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131866","19.28","0.0017","19.28","0.0017","32.89","0.006","90","","90","","90","","12226","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2951","0.1447","","","0.3597","0.4517","","","","","","1.125","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4134957","35.9458","0.0006","35.9458","0.0006","28.285","0.0007","90","","90","","90","","36547.1","1.2","150","2","150","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C300 H348 Cu24 N36 O204 S24 -","- C300 H348 Cu24 N36 O204 S24 -","- C600 H696 Cu48 N72 O408 S48 -","2","0.125","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.1094","0.0924","","","0.2624","0.298","","","","","","1.021","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4135544","20.6567","0.0004","20.6567","0.0004","42.465","0.002","90","","90","","90","","18119.8","1","140","2","140","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)","","- C132 H89 Eu6 N0 O34 -","- C132 H89 Eu6 O34 -","- C264 H178 Eu12 O68 -","2","0.125","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.1829","0.0897","","","0.2639","0.3791","","","","","","1.005","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4135545","19.4615","0.0002","19.4615","0.0002","33.5718","0.0006","90","","90","","90","","12715.3","0.3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C92 H68 Eu6 O34 -","- C92 H68 Eu6 O34 -","- C184 H136 Eu12 O68 -","2","0.125","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.0844","0.0471","","","0.1282","0.1495","","","","","","0.96","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4302717","13.49","0.0017","13.49","0.0017","25","0.003","90","","90","","90","","4549.5","1","290","1","290","1","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C20 H36 I Ni2 S8 -","- C20 H36 I Ni2 S8 -","- C120 H216 I6 Ni12 S48 -","6","0.375","","Minoru Mitsumi; Yuji Yoshida; Akihisa Kohyama; Yasutaka Kitagawa; Yoshiki Ozawa; Mototada Kobayashi; Koshiro Toriumi; Makoto Tadokoro; Naoshi Ikeda; Mitsutaka Okumura; Mohamedally Kurmoo","Syntheses, Structures and Solid-State Properties of MMX Mixed-Valence Chains, [NiII/III2(RCS2)4I]∞(R = Et,n-Pr andn-Bu): Evidence of a Spin-Peierls Transition","Inorganic Chemistry","2009","48","","6680","6691","10.1021/ic900630a","","","0.7107","MoKα","","0.096","0.0593","","","0.1499","0.1627","","","","","","1.169","","","","has coordinates,has disorder","179065","2020-10-21","18:00:00",""
"4303795","20.5468","0.0014","20.5468","0.0014","40.71","0.003","90","","90","","90","","17187","2","120","2","120","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","Cesium sodium uranyl peroxide hydroxide","","- Cs4 Na8.88 O147 U17 -","- Cs4 Na8.88 O147 U17 -","- Cs16 Na35.52 O588 U68 -","4","0.25","","Ginger E. Sigmon; Brittany Weaver; Karrie-Ann Kubatko; Peter C. Burns","Crown and Bowl-Shaped Clusters of Uranyl Polyhedra","Inorganic Chemistry","2009","48","","10907","10909","10.1021/ic9020355","","","0.71073","MoKα","","0.1053","0.056","","","0.1543","0.165","","","","","","0.907","","","","has coordinates","289031","2024-01-11","08:36:03",""
"4313463","7.8808","0.0011","7.8808","0.0011","11.474","0.002","90","","90","","90","","712.62","0.19","298","2","298","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- H8 I6 N2 Re -","- H8 I6 N2 Re -","- H16 I12 N4 Re2 -","2","0.125","","Ricardo González; Raúl Chiozzone; Carlos Kremer; Giovanni De Munno; Francesco Nicolò; Francesc Lloret; Miguel Julve; Juan Faus","Magnetic Studies on Hexaiodorhenate(IV) Salts of Univalent Cations. Spin Canting and Magnetic Ordering in K2[ReI6] with Tc= 24 K","Inorganic Chemistry","2003","42","","2512","2518","10.1021/ic020531j","","","0.71073","MoKα","","0.0456","0.0436","","","0.108","0.1091","","","","","","1.005","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4318481","12.7305","0.0018","12.7305","0.0018","17.788","0.004","90","","90","","90","","2882.8","0.9","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- H31 Mo12 O66 V7 -","- Mo12 O66 V7 -","- Mo24 O132 V14 -","2","0.125","","Wenbin Yang; Canzhong Lu; Xiaoping Zhan; Honghui Zhuang","Hydrothermal Synthesis of the First Vanadomolybdenum Polyoxocation with a ""Metal-Bonded"" Spherical Framework","Inorganic Chemistry","2002","41","","4621","4623","10.1021/ic025679h","","","0.71073","MoKα","","0.082","0.0686","","","0.2182","0.2265","","","","","","1.087","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4330618","24.5366","0.0001","24.5366","0.0001","6.5728","0.0001","90","","90","","90","","3957.12","0.06","298","2","298","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","Bis(p-tolylisocyanide) platinum dichloride","cis-Dichlorobis(4-methylphenylisocyanide)platinum(II)","","- C16 H14 Cl2 N2 Pt -","- C16 H14 Cl2 N2 Pt -","- C128 H112 Cl16 N16 Pt8 -","8","0.5","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.026","0.0188","","","0.0453","0.047","","","","","","1.051","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330619","24.5268","0.0002","24.5268","0.0002","6.5445","0.0001","90","","90","","90","","3936.94","0.08","298","2","298","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","Bis(p-tolylisocyanide) palladium dichloride","cis-Dichlorobis(4-methylphenylisocyanide)palladium(II)","","- C16 H14 Cl2 N2 Pd -","- C16 H14 Cl2 N2 Pd -","- C128 H112 Cl16 N16 Pd8 -","8","0.5","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0515","0.0397","","","0.0979","0.1024","","","","","","1.081","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4343738","11.93","","11.93","","7.93","","90","","90","","90","","1128.64","","","","","","","","","","","","","6","P 4/m n c","-P 4 2n","128","","K4 (Mo2 (S O4)4) Cl (H2 O)4","","- Cl H8 K4 Mo2 O20 S4 -","- Cl K4 Mo2 O20 S4 -","- Cl2 K8 Mo4 O40 S8 -","2","0.125","","Bino, A.; Cotton, F.A.","A new compound containing the tetrasulfatodimolybdenum anion with a bond order of 3.5","Inorganic Chemistry","1979","18","","1159","1161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344919","26.923","0.002","26.923","","39.422","0.002","90","","90","","90","","28575","3","123","2","123","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C58 H40 Cu6 N10 O30 -","- C58 H40 Cu6 N10 O30 -","- C464 H320 Cu48 N80 O240 -","8","0.5","","Wu, Jian; Xu, Jing-Wen; Liu, Wei-Cong; Yang, Su-Zhen; Luo, Miao-Miao; Han, Yao-Yao; Liu, Jian-Qiang; Batten, Stuart R.","Designed metal‒organic framework based on metal‒organic polyhedron: Drug delivery","Inorganic Chemistry Communications","2016","71","","32","","10.1016/j.inoche.2016.06.023","","","0.71073","MoKα","","0.1105","0.0819","","","0.2182","0.2383","","","","","","1.092","","","","has coordinates,has disorder","189215","2020-10-21","18:00:00",""
"4349025","17.1548","0.0012","17.1548","0.0012","37.599","0.003","90","","90","","90","","11064.9","1.4","100","2","100","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","2-Co","","- C140 H136 Co8 N4 O42 S8 -","- C140 H120 Co8 N4 O42 S8 -","- C280 H240 Co16 N8 O84 S16 -","2","0.125","","Dai, Feng-Rong; Qiao, Yupu; Wang, Zhenqiang","Designing structurally tunable and functionally versatile synthetic supercontainers","Inorganic Chemistry Frontiers","2016","3","2","243","","10.1039/C5QI00212E","","","0.71073","MoKα","","0.1136","0.0828","","","0.2373","0.2622","","","","","","1.088","","","","has coordinates","233549","2020-10-21","18:00:00",""
"4349745","14.5357","0.0004","14.5357","0.0004","22.999","0.002","90","","90","","90","","4859.4","0.5","293","2","293","2","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C24 H112 Cu6 N24 Nb12 O50 Si V2 -","- C24 H64 Cu6 N24 Nb12 O50 Si V2 -","- C48 H128 Cu12 N48 Nb24 O100 Si2 V4 -","2","0.125","","Zhang, Ting-Ting; Zhang, Xiao; Lü, Ying; Li, Guo-Dong; Xiao, Li-Na; Cui, Xiao-Bing; Xu, Ji-Qing","New organic‒inorganic hybrid compounds based on [SiNb12V2O42]12− with high catalytic activity for styrene epoxidation","Inorganic Chemistry Frontiers","2017","4","8","1397","","10.1039/C7QI00318H","","","0.71073","MoKα","","0.134","0.0994","","","0.2499","0.2746","","","","","","1.062","","","","has coordinates","235786","2020-10-21","18:00:00",""
"4510233","9.2309","0.0008","9.2309","0.0008","9.5945","0.0014","90","","90","","90","","817.54","0.16","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Cd I6 Tl4 -","- Cd I6 Tl4 -","- Cd2 I12 Tl8 -","2","0.125","","Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection","Crystal Growth & Design","2014","14","5","2401","","10.1021/cg5001446","","","0.71073","MoKα","","0.0425","0.0376","","","0.0487","0.0494","","","","","","1.419","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510234","9.2288","0.0004","9.2288","0.0004","9.6054","0.0006","90","","90","","90","","818.1","0.07","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Cd I6 Tl4 -","- Cd I6 Tl4 -","- Cd2 I12 Tl8 -","2","0.125","","Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection","Crystal Growth & Design","2014","14","5","2401","","10.1021/cg5001446","","","0.71073","MoKα","","0.0401","0.0315","","","0.0599","0.062","","","","","","1.211","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510235","9.2323","0.0006","9.2323","0.0006","9.6015","0.0011","90","","90","","90","","818.39","0.12","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Cd I6 Tl4 -","- Cd I6 Tl4 -","- Cd2 I12 Tl8 -","2","0.125","","Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection","Crystal Growth & Design","2014","14","5","2401","","10.1021/cg5001446","","","0.71073","MoKα","","0.048","0.0394","","","0.066","0.0684","","","","","","1.176","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4511626","16.3235","0.0009","16.3235","0.0009","11.6695","0.0009","90","","90","","90","","3109.4","0.3","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C28 H16 N2 O14 Zn4 -","- C28 H8 N2 O14 Zn4 -","- C112 H32 N8 O56 Zn16 -","4","0.25","","Shi, Zhan; Li, Guanghua; Wang, Lei; Gao, Lu; Chen, Xiaobo; Hua, Jia; Feng, Shouhua","Two Three-Dimensional Metal−Organic Frameworks from Secondary Building Units of Zn8(OH)4(O2C−)12and Zn2((OH)(O2C−)3: [Zn2(OH)(btc)]2(4,4‘-bipy) and Zn2(OH)(btc)(pipe)","Crystal Growth & Design","2004","4","1","25","","10.1021/cg034084+","","","0.71073","MoKα","","0.0619","0.0501","","","0.1261","0.1338","","","","","","1.06","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4514203","27.199","0.004","27.199","0.004","39.14","0.008","90","","90","","90","","28955","8","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C72 H91 Cu6 N13 O42 -","- C59 H36 Cu6 N9 O31 -","- C472 H288 Cu48 N72 O248 -","8","0.5","","Liu, Bing; Yao, Shuo; Liu, Xinyao; Li, Xu; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two Analogous Polyhedron-Based MOFs with High Density of Lewis Basic Sites and Open Metal Sites: Significant CO2 Capture and Gas Selectivity Performance.","ACS applied materials & interfaces","2017","9","38","32820","32828","10.1021/acsami.7b10795","","","0.71073","MoKα","","0.0687","0.0498","","","0.1572","0.1668","","","","","","1.079","","","","has coordinates,has disorder","201742","2020-10-21","18:00:00",""
"4514204","27.397","0.004","27.397","0.004","38.876","0.008","90","","90","","90","","29180","9","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C70 H83 Cu6 N13 O42 -","- C56 H28 Cu6 N8 O31 -","- C448 H224 Cu48 N64 O248 -","8","0.5","","Liu, Bing; Yao, Shuo; Liu, Xinyao; Li, Xu; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two Analogous Polyhedron-Based MOFs with High Density of Lewis Basic Sites and Open Metal Sites: Significant CO2 Capture and Gas Selectivity Performance.","ACS applied materials & interfaces","2017","9","38","32820","32828","10.1021/acsami.7b10795","","","0.71073","MoKα","","0.066","0.0475","","","0.1529","0.1591","","","","","","1.055","","","","has coordinates,has disorder","201742","2020-10-21","18:00:00",""
"4516678","17.2377","0.0005","17.2377","0.0005","27.3182","0.0008","90","","90","","90","","8117.3","0.4","100","","100","","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C368 H416 F24 Fe8 N16 Na4 O28.7 P4 -","- C368 H416 F24 Fe8 N16 Na4 O28.704 P4 -","- C368 H416 F24 Fe8 N16 Na4 O28.704 P4 -","1","0.0625","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0687","0.0464","","","0.1234","0.1429","","","","","","1.09","","","","has coordinates,has disorder","239447","2020-10-21","18:00:00",""
"4517551","24.7582","0.0014","24.7582","0.0014","31.9322","0.0019","90","","90","","90","","19573","2","150","2","150","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C280 H198 N2 O56 Zr6 -","- C280 H198 N2 O54 Zr4 -","- C560 H396 N4 O108 Zr8 -","2","0.125","","Cheng, Shengxian; Li, Kedi; Hu, Jieying; He, Jun; Zeller, Matthias; Xu, Zhengtao","Building Conjugated Donor-Acceptor Cross-Links into Metal-Organic Frameworks for Photo- and Electroactivity.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c01634","","","0.71073","MoKα","","0.1043","0.0933","","","0.2745","0.2876","","","","","","1.09","","","","has coordinates,has disorder","250504","2020-10-21","18:00:00",""
"4517681","28.3898","0.0014","28.3898","0.0014","40.953","0.002","90","","90","","90","","33007","3","200","2","200","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C248 H112 Cr24 N24 O104 -","- C248 H112 Cr24 N24 O104 -","- C496 H224 Cr48 N48 O208 -","2","0.125","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.2593","0.1929","","","0.4657","0.5391","","","","","","2.11","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517686","28.327","0.002","28.327","0.002","40.322","0.003","90","","90","","90","","32355","4","150","2","150","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C360 H216 Cu24 N24 O120 -","- C360 H216 Cu24 N24 O120 -","- C720 H432 Cu48 N48 O240 -","2","0.125","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.2297","0.2041","","","0.5532","0.5806","","","","","","2.947","","","","has coordinates","256979","2020-10-21","18:00:00",""
"5000230","8.965","0.002","8.965","0.002","15.768","0.002","90","","90","","90","","1267.3","","","","","","","","","","","","","7","P 4/m n c","-P 4 2n","128","","Aluminium phosphate(V) dihydrate","Variscite 1O, Apophyllite","- Ca4 F H16 K0.84 Na0.16 O28 Si8 -","- Ca4 F H18 K0.84 Na0.16 O28 Si8 -","- Ca8 F2 H36 K1.68 Na0.32 O56 Si16 -","2","0.125","","Colville, A A; Anderson, C P","Refinement of the Crystal Structure of Apophyllite I. X-ray Diffraction","American Mineralogist","1971","56","","1222","1233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5900025","6.04","","6.04","","5.05","","90","","90","","90","","184.23","","","","","","","","","","","","","4","P 4/m n c","","128","","Methylamine hydrogen chloride","","- C H6 Cl N -","- C4 Cl N4 -","- C8 Cl2 N8 -","2","0.125","","","","J. Am. Chem. Soc.","1946","68","","1970","","10.1021/ja01214a029","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5910166","7.34","","7.34","","10.38","","90","","90","","90","","559.229","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- F14 Fe3 Na5 -","- F336 Fe20 Na68 -","- F336 Fe20 Na68 -","","","","Wyckoff, R. W. G.","Page 492 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","492","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910188","8.5621","","8.5621","","11.5288","","90","","90","","90","","845.171","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- Cl2 K5 Na O12 S4 -","- Cl16 K68 Na4 O320 S64 -","- Cl16 K68 Na4 O320 S64 -","","","","Wyckoff, R. W. G.","Pages 48-51 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","48","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"7033608","23.474","0.003","23.474","0.003","6.6926","0.0009","90","","90","","90","","3687.8","0.8","296","2","296","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","InPCF-1","","- C14 H11 In O10 P -","- C14 H11 In O10 P -","- C112 H88 In8 O80 P8 -","8","0.5","","Dan, Wenyan; Liu, Xiaofeng; Deng, Mingli; Ling, Yun; Chen, Zhenxia; Zhou, Yaming","A highly stable indium phosphonocarboxylate framework as a multifunctional sensor for Cu(2+) and methylviologen ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3794","3800","10.1039/c4dt03502j","","","0.71073","MoKα","","0.072","0.0462","","","0.1175","0.1432","","","","","","1.175","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7036890","8.2769","0.0004","8.2769","0.0004","11.6742","0.0008","90","","90","","90","","799.77","0.08","165","2","165","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Fe K N8 -","- C10 H16 Fe K N8 -","- C20 H32 Fe2 K2 N16 -","2","0.125","","Xu, Wei-Jian; Chen, Shao-Li; Hu, Zhi-Tao; Lin, Rui-Biao; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Cation-dependent structural phase transition and dielectric response in a family of cyano-bridged perovskite-like coordination polymers","Dalton Trans.","2015","","","","","10.1039/C5DT03481G","","","0.71073","MoKα","","0.07","0.0678","","","0.1761","0.1776","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036891","8.3101","0.0013","8.3101","0.0013","11.684","0.003","90","","90","","90","","806.9","0.3","298","2","298","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Fe K N8 -","- C10 H16 Fe K N8 -","- C20 H32 Fe2 K2 N16 -","2","0.125","","Xu, Wei-Jian; Chen, Shao-Li; Hu, Zhi-Tao; Lin, Rui-Biao; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Cation-dependent structural phase transition and dielectric response in a family of cyano-bridged perovskite-like coordination polymers","Dalton Trans.","2015","","","","","10.1039/C5DT03481G","","","0.71073","MoKα","","0.0359","0.0314","","","0.0853","0.0891","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7043257","14.5498","0.0003","14.5498","0.0003","22.9484","0.0011","90","","90","","90","","4858.1","0.3","100","","100","","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C24 H128 Cu6 N24 Nb12 O59 P V2 -","- C24 H104 Cu6 N24 Nb12 O46 P V2 -","- C48 H208 Cu12 N48 Nb24 O92 P2 V4 -","2","0.125","","Hu, Jufang; Dong, Jing; Huang, Xianqiang; Chi, Yingnan; Lin, Zhengguo; Li, Jikun; Yang, Song; Ma, Hongwei; Hu, Changwen","Immobilization of Keggin Polyoxovanadoniobate in Crystalline Solids as Effective Heterogeneous Catalysts towards Selective Oxidation of Benzyl-Alkanes","Dalton Trans.","2017","","","","","10.1039/C7DT01122A","","","0.71073","MoKα","","0.0652","0.0489","","","0.1132","0.1216","","","","","","1.09","","","","has coordinates,has disorder","197554","2020-10-21","18:00:00",""
"7049046","8.3557","0.0001","8.3557","0.0001","11.8796","0.0003","90","","90","","90","","829.41","0.03","140","","140","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Cr K N8 -","- C10 H16 Cr K N8 -","- C20 H32 Cr2 K2 N16 -","2","0.125","","Rok, M.; Bator, G.; Zarychta, B.; Dziuk, B.; Repeć, J; Medycki, W.; Zamponi, M.; Usevičius, G; Šimėnas, M; Banys, J.","Isostructural phase transition, quasielastic neutron scattering and magnetic resonance studies of a bistable dielectric ion-pair crystal [(CH<sub>3</sub>)<sub>2</sub>NH<sub>2</sub>]<sub>2</sub>KCr(CN)<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4190","4202","10.1039/c8dt05082a","","","0.71073","MoKα","","0.055","0.047","","","0.0919","0.0949","","","","","","1.171","","","","has coordinates","224277","2020-10-21","18:00:00",""
"7049047","8.403","0.0001","8.403","0.0001","11.8999","0.0003","90","","90","","90","","840.26","0.03","230","","230","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Cr K N8 -","- C10 H16 Cr K N8 -","- C20 H32 Cr2 K2 N16 -","2","0.125","","Rok, M.; Bator, G.; Zarychta, B.; Dziuk, B.; Repeć, J; Medycki, W.; Zamponi, M.; Usevičius, G; Šimėnas, M; Banys, J.","Isostructural phase transition, quasielastic neutron scattering and magnetic resonance studies of a bistable dielectric ion-pair crystal [(CH<sub>3</sub>)<sub>2</sub>NH<sub>2</sub>]<sub>2</sub>KCr(CN)<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4190","4202","10.1039/c8dt05082a","","","0.71073","MoKα","","0.0349","0.0219","","","0.0563","0.0603","","","","","","1.087","","","","has coordinates,has disorder","224277","2020-10-21","18:00:00",""
"7051251","14.274","0.0008","14.214","0.0006","15.104","0.0006","90","","90","","90","","3064.5","0.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl8 Gd6 H72 O73 -","- Cl8 Gd6 O73 -","- Cl16 Gd12 O146 -","2","0.125","","Zhang, Da-Shun; Ma, Bao-Qing; Jin, Tian-Zhu; Gao, Song; Yan, Chun-Hua; Mak, Thomas C. W.","Oxo-centered regular octahedral lanthanide clusters","New Journal of Chemistry","2000","24","2","61","","10.1039/a908471a","","","0.71073","MoKα","","0.0793","0.0702","","","0.1726","0.1746","","","","","","1.194","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051252","14.5147","0.0007","14.5079","0.0007","15.2546","0.0008","90","","90","","90","","3212.3","0.3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl8 H72 Nd6 O73 -","- Cl8 Nd6 O73 -","- Cl16 Nd12 O146 -","2","0.125","","Zhang, Da-Shun; Ma, Bao-Qing; Jin, Tian-Zhu; Gao, Song; Yan, Chun-Hua; Mak, Thomas C. W.","Oxo-centered regular octahedral lanthanide clusters","New Journal of Chemistry","2000","24","2","61","","10.1039/a908471a","","","0.71073","MoKα","","0.0445","0.0322","","","0.0827","0.0889","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051796","15.8399","0.001","15.8399","0.001","22.847","0.003","90","","90","","90","","5732.4","0.9","173","2","173","2","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C88 H112 Ag4 Cl8 F24 O8 P4 S12 -","- C88 H112 Ag4 Cl8 F24 O8 P4 S12 -","- C176 H224 Ag8 Cl16 F48 O16 P8 S24 -","2","0.125","","Kim, Hyun Jee; Yoon, Il; Lee, So Young; Choi, Kyu Seong; Lee, Shim Sung","Exo-coordinated discrete and continuous supramolecular silver(i) complexes with thiaoxa-macrocycles","New Journal of Chemistry","2008","32","2","258","","10.1039/b710581a","","","0.71073","MoKα","","0.1902","0.0806","","","0.1821","0.2669","","","","","","1.064","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7053083","14.1182","0.0007","14.1182","0.0007","12.4604","0.0011","90","","90","","90","","2483.7","0.3","150","2","150","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- Co H48 K4 O62 Si W11 -","- Co0.96 K4 O62 Si W11.04 -","- Co1.92 K8 O124 Si2 W22.08 -","2","0.125","","Balula, Salete S.; Cunha-Silva, Luís; Santos, Isabel C. M. S.; Estrada, Ana C.; Fernandes, A. C.; Cavaleiro, José A. S.; Pires, João; Freire, Cristina; Cavaleiro, Ana M. V.","Mono-substituted silicotungstates as active catalysts for sustainable oxidations: homo- and heterogeneous performance","New Journal of Chemistry","2013","37","8","2341","","10.1039/c3nj00243h","","","0.71073","MoKα","","0.0409","0.0382","","","0.0952","0.0971","","","","","","1.15","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7101374","15.5328","0.0002","15.5328","0.0002","15.5904","0.0003","90","","90","","90","","3761.4","0.1","200","","200","","","","","","","","?","6","P 4/m n c","-P 4 2n","128","","","","- C60 H76 Br F18 P7 Sb4 -","- C60 H76 Br F18 P7 Sb4 -","- C120 H152 Br2 F36 P14 Sb8 -","2","0.125","","J.W.Wielandt; N.L.Kilah; A.C.Willis; S.B.Wild","Self-Assembly of Square-Planar Halide Complexes of Phosphine-Stabilized Stibenium Salts","Chemical Communications","2006","","35","","","10.1039/b607136h","","","0.71073","MoKα","","","0.0171","","","","0.02","","","","","","1.1587","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101375","15.4979","0.0002","15.4979","0.0002","15.5355","0.0003","90","","90","","90","","3731.39","0.1","200","","200","","","","","","","","?","6","P 4/m n c","-P 4 2n","128","","","","- C60 H76 Cl F18 P7 Sb4 -","- C60 H76 Cl F15.78 P7 Sb4 -","- C120 H152 Cl2 F31.56 P14 Sb8 -","2","0.125","","J.W.Wielandt; N.L.Kilah; A.C.Willis; S.B.Wild","Self-Assembly of Square-Planar Halide Complexes of Phosphine-Stabilized Stibenium Salts","Chemical Communications","2006","","35","","","10.1039/b607136h","","","0.71073","MoKα","","0.0497","0.0288","","0.0443","0.034","0.034","","","","","","1.1976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101617","12.546","0.003","12.546","0.003","32.74","0.009","90","","90","","90","","5154","2","301","2","301","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C128 H224 Cd12 Cl40 N16 O24 -","- C128 H224 Cd12 Cl40 N16 O24 -","- C128 H224 Cd12 Cl40 N16 O24 -","1","0.0625","","Chen, Chun-Long; Beatty, Alicia M","From crystal engineering to cluster engineering: How to transform cadmium chloride from 2-D to 0-D.","Chemical communications (Cambridge, England)","2007","","1","76","78","10.1039/b613761j","","","0.71073","MoKα","","0.0552","0.0333","","","0.0679","0.0769","","","","","","1.064","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7110229","30.988","0.006","30.988","0.006","45.964","0.008","90","","90","","90","","44137","14","110","2","110","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C159 H255 Cu6 N3 O63 S36 -","- C87 H39 Cu6 N3 O33 -","- C696 H312 Cu48 N24 O264 -","8","0.5","","Yabo Xie; Hui Yang; Zhiyong U. Wang; Yangyang Liu; Hong-Cai Zhou; Jian-Rong Li","Unusual preservation of polyhedral molecular building units in a metal-organic framework with evident desymmetrization in ligand design","Chem.Commun.","2014","50","","563","","10.1039/c3cc48089e","","","0.71073","MoKα","","0.1032","0.0553","","","0.1499","0.167","","","","","","1.038","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7112004","12.4314","0.0006","12.4314","0.0006","43.467","0.004","90","","90","","90","","6717.4","0.8","150","2","150","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C56 H122 N6 Na6 O84 P8 V10 -","- C55.9968 H31.9968 N6 Na6 O82 P8 V10 -","- C111.994 H63.9936 N12 Na12 O164 P16 V20 -","2","0.125","","Mariyatra B. Mahimaidoss; Sergey A. Krasnikov; Lukas Reck; Camelia I. Onet; John M. Breen; Nianyong Zhu; Bartosz Marzec; Igor V. Shvets; Wolfgang Schmitt","Homologous size-extension of hybrid vanadate capsules - solid state structures, solution stability and surface deposition","Chem.Commun.","2014","50","","2265","","10.1039/c3cc48541b","","","0.71073","MoKα","","0.1088","0.0883","","","0.2647","0.281","","","","","","1.076","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112005","12.144","0.003","12.144","0.003","49.317","0.018","90","","90","","90","","7273","4","150","2","150","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C64 H118 N6 Na6 O82 P8 V10 -","- C64 H76.0024 N6 Na6 O82 P8 V10 -","- C128 H152.005 N12 Na12 O164 P16 V20 -","2","0.125","","Mariyatra B. Mahimaidoss; Sergey A. Krasnikov; Lukas Reck; Camelia I. Onet; John M. Breen; Nianyong Zhu; Bartosz Marzec; Igor V. Shvets; Wolfgang Schmitt","Homologous size-extension of hybrid vanadate capsules - solid state structures, solution stability and surface deposition","Chem.Commun.","2014","50","","2265","","10.1039/c3cc48541b","","","0.71073","MoKα","","0.2415","0.1287","","","0.3085","0.3677","","","","","","0.997","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7114352","13.7588","0.0009","13.7588","0.0009","16.7261","0.0014","90","","90","","90","","3166.3","0.4","223","2","223","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","Tetrakis(3,3',5,5'-tetramethyl-4,4'-bipyrazolyl) Sulfato Diperchlorato Dicobalt(II), trihydrate","","- C40 H62 Cl2 Co2 N15 O16 S -","- C40 H56 Cl2 Co2 N16 O15 S -","- C80 H112 Cl4 Co4 N32 O30 S2 -","2","0.125","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Chernega, Alexander N.; Sieler, Joachim; Domasevitch, Konstantin V.","Mixed-anion complexes with a bipyrazolyl ligand. A new entry to a realm of three-dimensional five-connected coordination topologiesElectronic supplementary information (ESI) available: crystal structure determination and refinement details for 1–4. See http://www.rsc.org/suppdata/cc/b1/b110599j/","Chemical Communications","2002","","5","436","","10.1039/b110599j","","","0.71073","MoKα","","0.0778","0.044","","0.2066","0.1196","","","","1.054","1.107","1.107","","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114353","13.6542","0.0013","13.6542","0.0013","16.477","0.002","90","","90","","90","","3071.9","0.6","223","2","223","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","Tetrakis(3,3',5,5'-Tetramethyl-4,4'-bipyrazolyl) Sulfato Dinitrato Dinickel(II), trihydrate","","- C40 H62 N18 Ni2 O13 S -","- C40 H56 N18 Ni2 O13 S -","- C80 H112 N36 Ni4 O26 S2 -","2","0.125","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Chernega, Alexander N.; Sieler, Joachim; Domasevitch, Konstantin V.","Mixed-anion complexes with a bipyrazolyl ligand. A new entry to a realm of three-dimensional five-connected coordination topologiesElectronic supplementary information (ESI) available: crystal structure determination and refinement details for 1–4. See http://www.rsc.org/suppdata/cc/b1/b110599j/","Chemical Communications","2002","","5","436","","10.1039/b110599j","","","0.71073","MoKα","","0.1098","0.0801","","0.3476","0.1836","","","","1.37","1.37","1.37","","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7116356","13.3088","0.0004","13.3088","0.0004","20.4387","0.0008","90","","90","","90","","3620.2","0.2","129.7","0.1","130","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C43 H60 Cl Cu4 N15 O28 -","- C36 H32 Cl Cu4 N15 O21 -","- C72 H64 Cl2 Cu8 N30 O42 -","2","0.125","","Di-ming Chen; Wei Shi; Peng Cheng","A cage-based cationic body-centered tetragonal metal-organic framework: single-crystal to single-crystal transformation and selective uptake of organic dyes","Chem.Commun.","2015","51","","370","","10.1039/C4CC07357F","","","0.71073","MoKα","","0.074","0.0632","","","0.1673","0.1754","","","","","","1.168","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7117886","26.582","0.004","26.582","0.004","39.19","0.008","90","","90","","90","","27692","8","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C111 H156 Cu6 N11 O50 -","- C67 H31 Cu6 O30 -","- C536 H248 Cu48 O240 -","8","0.5","","Wang, Dongmei; Liu, Bing; Yao, Shuo; Wang, Tao; Li, Guanghua; Huo, Qisheng; Liu, Yunling","A polyhedral metal-organic framework based on the supermolecular building block strategy exhibiting high performance for carbon dioxide capture and separation of light hydrocarbons.","Chemical communications (Cambridge, England)","2015","51","83","15287","15289","10.1039/c5cc06162h","","","0.71073","MoKα","","0.0558","0.0385","","","0.1038","0.1088","","","","","","1.024","","","","has coordinates,has disorder","160609","2020-10-21","18:00:00",""
"7118489","26.956","0.004","26.956","0.004","39.145","0.008","90","","90","","90","","28444","8","293","2","253","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C78 H121 Cu6 N17 O54 -","- C54 H21 Cu6 N9 O30 -","- C432 H168 Cu48 N72 O240 -","8","0.5","","Liu, Bing; Yao, Shuo; Shi, Chao; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Significant enhancement of gas uptake capacity and selectivity via the judicious increase of open metal sites and Lewis basic sites within two polyhedron-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2016","52","15","3223","3226","10.1039/c5cc09922f","","","0.71073","MoKα","","0.1246","0.0856","","","0.2344","0.2587","","","","","","0.934","","","","has coordinates","177660","2020-10-21","18:00:00",""
"7118490","27.405","0.004","27.405","0.004","39.362","0.008","90","","90","","90","","29562","9","100","2","100","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C87 H126 Cu6 N20 O48 -","- C62 H33 Cu6 N11 O28 -","- C496 H264 Cu48 N88 O224 -","8","0.5","","Liu, Bing; Yao, Shuo; Shi, Chao; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Significant enhancement of gas uptake capacity and selectivity via the judicious increase of open metal sites and Lewis basic sites within two polyhedron-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2016","52","15","3223","3226","10.1039/c5cc09922f","","","0.71073","MoKα","","0.0866","0.072","","","0.1896","0.2002","","","","","","0.982","","","","has coordinates,has disorder","177660","2020-10-21","18:00:00",""
"7121662","26.7344","0.0007","26.7344","0.0007","51.852","0.002","90","","90","","90","","37060","2","173","","173","","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C448 H496 F144 N64 P24 Pd4 Ru8 -","- C448 H496 F24 N64 P4 Pd4 Ru8 -","- C896 H992 F48 N128 P8 Pd8 Ru16 -","2","0.125","","Rota Martir, Diego; Cordes, David B.; Slawin, Alexandra M. Z.; Escudero, Daniel; Jacquemin, Denis; Warriner, Stuart L.; Zysman-Colman, Eli","A luminescent [Pd<sub>4</sub>Ru<sub>8</sub>]<sup>24+</sup> supramolecular cage.","Chemical communications (Cambridge, England)","2018","54","47","6016","6019","10.1039/c8cc02104j","","","1.54187","CuKα","","0.2856","0.1203","","","0.2993","0.3675","","","","","","1.26","","","","has coordinates","228331","2020-10-21","18:00:00",""
"7123864","31.1697","0.0013","31.1697","0.0013","24.8716","0.0012","90","","90","","90","","24164","1.8","100","2","100","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C332 H276 Cu24 N48 O68 -","- C332 H276 Cu24 N48 O68 -","- C664 H552 Cu48 N96 O136 -","2","0.125","","Lorzing, Gregory; Gosselin, Eric; Lindner, Brian S.; Bhattacharjee, Rameswar; Yap, Glenn; Caratzoulas, Stavros; Bloch, Eric D.","Design and Synthesis of Capped-Paddlewheel-Based Porous Coordination Cages","Chemical Communications","2019","","","","","10.1039/C9CC05002G","","","1.54178","CuKα","","0.1381","0.1017","","","0.2753","0.3158","","","","","","1.177","","","","has coordinates","217085","2020-10-21","18:00:00",""
"7205958","17.322","0.002","17.322","0.002","27.263","0.006","90","","90","","90","","8180","2","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C95 H105 Cd4 N22 O46 -","- C77 H52 Cd4 N16 O20 -","- C154 H104 Cd8 N32 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0598","0.0571","","","0.1646","0.1669","","","","","","1.107","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205959","17.322","0.002","17.322","0.002","23.419","0.005","90","","90","","90","","7026.9","1.9","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C99.5 H120.5 Cd4 N15.5 O35.5 -","- C77 H52 Cd4 N8 O20 -","- C154 H104 Cd8 N16 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0616","0.0601","","","0.1674","0.1687","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205961","17.3376","0.0008","17.3376","0.0008","27.957","0.002","90","","90","","90","","8403.7","0.8","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C109 H134 Cd4 N16 O33 -","- C85 H68 Cd4 N8 O20 -","- C170 H136 Cd8 N16 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.1002","0.0978","","","0.2602","0.2617","","","","","","1.056","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7212933","12.3484","0.0003","12.3484","0.0003","14.3979","0.0005","90","","90","","90","","2195.43","0.11","120","2","120","2","","","","","","","synthesis as described","5","P 4/m n c","-P 4 2n","128","","","","- C8 Ge31.14 N4.16 O84 Si8.86 -","- C8 Ge31.144 N4.16 O84 Si8.856 -","- C8 Ge31.144 N4.16 O84 Si8.856 -","1","0.0625","","Attfield, Martin P.; Al-Ebini, Yousef; Hill, Patrick","One-step synthesis, characterisation and properties of core/shell silicogermanate zeotype crystals","Journal of Materials Chemistry","2010","20","39","8686","","10.1039/c0jm01429j","","x-ray","0.71073","MoKα","","0.0362","0.0242","","","0.0547","0.0614","","","","","","1.124","","","","has coordinates,has disorder","180460","2020-10-21","18:00:00",""
"7217664","20.234","0.003","20.234","0.003","26.874","0.005","90","","90","","90","","11003","3","100","2","100","2","","","","","","","","2","P 4/m n c","-P 4 2n","128","","","","- O118 U28 -","- O118 U28 -","- O236 U56 -","2","0.125","","Zhang, Yingjie; Bhadbhade, Mohan; Price, Jason R.; Karatchevtseva, Inna; Collison, David; Lumpkin, Gregory R.","Kinetics vs. thermodynamics: a unique crystal transformation from a uranyl peroxo-nanocluster to a nanoclustered uranyl polyborate","RSC Advances","2014","4","65","34244","","10.1039/C4RA06970F","","","0.71073","Synchrotron","","0.0634","0.0605","","","0.2467","0.2541","","","","","","1.246","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7221345","7.269","","7.269","","19.19","","90","","90","","90","","1013.97","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(N H4)3 (N (Ta Br5)2)","","- Br10 H12 N4 Ta2 -","- Br10 H12 N4 Ta2 -","- Br20 H24 N8 Ta4 -","2","0.125","","Frank, K. P.; Straehle, J.; Weidlein, J.","Darstellung, Schwingungsspektrum und Kristallstruktur des Decabromo-mue-nitrido-ditantalats(V) Ta2 N Br10(3-). Ein Komplex Mit Symmetrischer Ta=N=Ta-Bruecke","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","300","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","189495","2020-10-21","18:00:00",""
"7222599","7.717","","7.717","","11.454","","90","","90","","90","","682.11","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","K2 (Pt I6)","","- I6 K2 Pt -","- I6 K2 Pt -","- I12 K4 Pt2 -","2","0.125","","Thiele, G.; Kammerer, D.; Mrozek, C.; Wittmann, K.","Ueber Hexaiodoplatinate(IV) M2 Pt I6 (M= K, Rb, Cs, N H4, Tl)- Darstellungsverfahren, Eigenschaften und Kristallstrukturen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1983","38","","905","910","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223749","6.336","0.001","6.336","","14.87","0.002","90","","90","","90","","596.95","0.12","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Aluminium Iron Copper (7/1/2)","","- Al7 Cu2 Fe -","- Al7 Cu2 Fe -","- Al28 Cu8 Fe4 -","4","0.25","","Pillaca Quispe, Mirtha; Landauro Sáenz, Carlos V.; Pinto Vergara, Milida Z.; Quispe Marcatoma, Justiniano; Rojas Ayala, Chachi; Peña Rodríguez, Victor A.; Saitovitch, Elisa B.","Influence of high energy milling on the microstructure and magnetic properties of the Al-Cu-Fe phases: the case of the i-Al64Cu23Fe13quasicrystalline and the ω-Al70Cu20Fe10crystalline phases","RSC Adv.","2016","","","","","10.1039/C5RA21093C","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","173564","2020-10-21","18:00:00",""
"7224903","11.786","0.002","11.786","","29.019","0.006","90","","90","","90","","4031","1.1","298","2","298","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C56 H78 Cl12 N28 Ni8 O6 -","- C56 H78 Cl12 N28 Ni8 O6 -","- C112 H156 Cl24 N56 Ni16 O12 -","2","0.125","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71073","MoKα","","0.0486","0.0354","","","0.0852","0.093","","","","","","1.034","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7228115","26.9768","0.0015","26.9768","0.0015","39.206","0.003","90","","90","","90","","28532","3","296","2","296","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C117 H178 Cu6 N30 O50 -","- C55 H30 Cu6 N9 O30 -","- C440 H240 Cu48 N72 O240 -","8","0.5","","Liu, Zhen; Lv, Lingzhi; He, Yabing; Feng, YunLong","An Anionic Metal-Organic Framework Constructed from a Triazole-Functionalized Diisophthalate Featuring Hierarchical Cages for Selective Adsorptive C2H2/CH4 and CO2/CH4 Separation","CrystEngComm","2017","","","","","10.1039/C7CE00661F","","","0.71073","MoKα","","0.1119","0.0576","","","0.1436","0.1583","","","","","","1.083","","","","has coordinates","195796","2020-10-21","18:00:00",""
"7240937","8.97809","0.00014","8.97809","0.00014","6.4585","0.0003","90","","90","","90","","520.59","0.03","293","","293","","","","101","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","","1.54178","CuKα","","0.0597","0.0556","","0.0885","0.0885","0.0885","","","","","","1.1324","","","","has coordinates","258985","2020-11-06","13:19:11",""
"7240938","8.7712","0.0008","8.7712","0.0008","6.2436","0.0009","90","","90","","90","","480.34","0.09","293","","293","","","","1960000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0945","0.089","","0.2338","0.2159","0.2239","","","","","","0.9959","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240939","8.9435","0.0005","8.9435","0.0005","6.4253","0.0007","90","","90","","90","","513.94","0.07","293","","293","","","","375000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0403","0.0394","","0.0976","0.0968","0.0867","","","","","","0.9719","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240940","8.7949","0.0006","8.7949","0.0006","6.273","0.0008","90","","90","","90","","485.22","0.08","293","","293","","","","1650000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1056","0.1014","","0.2524","0.2364","0.2382","","","","","","1.0329","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240941","8.7425","0.0007","8.7425","0.0007","6.2161","0.0008","90","","90","","90","","475.1","0.08","293","","293","","","","2280000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1009","0.095","","0.2556","0.2345","0.2414","","","","","","0.986","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240942","8.8591","0.0006","8.8591","0.0006","6.3339","0.0008","90","","90","","90","","497.11","0.08","293","","293","","","","1060000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1277","0.1252","","0.3119","0.3035","0.2508","","","","","","1.0903","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240943","8.8963","0.0004","8.8963","0.0004","6.3753","0.0006","90","","90","","90","","504.57","0.06","293","","293","","","","740000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1136","0.1106","","0.2741","0.2657","0.2321","","","","","","0.9962","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240944","8.722","0.0011","8.722","0.0011","6.1933","0.0011","90","","90","","90","","471.14","0.12","293","","293","","","","2710000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0937","0.0871","","0.2254","0.208","0.2165","","","","","","1.0377","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240945","8.6076","0.0014","8.6076","0.0014","6.0602","0.0017","90","","90","","90","","449","0.16","293","","293","","","","4620000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0974","0.0861","","0.2746","0.2412","0.2746","","","","","","1.1104","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240946","8.6538","0.001","8.6538","0.001","6.122","0.0012","90","","90","","90","","458.47","0.12","293","","293","","","","3730000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1185","0.1095","","0.2961","0.2683","0.2895","","","","","","1.2444","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240947","10.3266","0.0008","10.3266","0.0008","6.4805","0.001","90","","90","","90","","691.07","0.13","293","","293","","","","250000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0919","0.0564","","0.3066","0.1675","0.1815","","","","","","0.8304","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240948","10.3078","0.0008","10.3078","0.0008","6.4712","0.001","90","","90","","90","","687.57","0.13","293","","293","","","","250000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0724","0.05","","0.2647","0.2053","0.1305","","","","","","0.9742","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240949","10.35151","0.00012","10.35151","0.00012","6.4977","0.0002","90","","90","","90","","696.25","0.02","293","","293","","","","101","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","","1.54178","CuKα","","0.0578","0.0501","","0.1428","0.1243","0.1428","","","","","","0.9642","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240950","10.1452","0.0013","10.1452","0.0013","6.3581","0.0011","90","","90","","90","","654.41","0.16","293","","293","","","","1230000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0614","0.046","","0.1972","0.1856","0.1295","","","","","","1.0129","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240951","10.0908","0.0014","10.0908","0.0014","6.3306","0.0017","90","","90","","90","","644.6","0.2","293","","293","","","","1610000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0756","0.0573","","0.231","0.2185","0.1481","","","","","","0.9901","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240952","10.056","0.002","10.056","0.002","6.32","0.003","90","","90","","90","","639.1","0.4","293","","293","","","","1920000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0847","0.0517","","0.2131","0.1301","0.1517","","","","","","0.9801","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240953","10.1964","0.0007","10.1964","0.0007","6.3876","0.0009","90","","90","","90","","664.1","0.11","293","","293","","","","920000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.046","0.0317","","0.0971","0.0836","0.0971","","","","","","1.0234","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240954","10.2482","0.0007","10.2482","0.0007","6.4309","0.0009","90","","90","","90","","675.41","0.11","293","","293","","","","580000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.078","0.0574","","0.243","0.1735","0.202","","","","","","0.9624","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7243515","13.569","0.0003","13.569","0.0003","8.5361","0.0004","90","","90","","90","","1571.65","0.09","150","2","150","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- Cs4.34 H5.93 Mn1.83 O26.97 V8 -","- Cs4.3412 H5.9288 Mn1.8288 O26.9644 V8 -","- Cs8.6824 H11.8576 Mn3.6576 O53.9288 V16 -","2","0.125","","Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying","Towards new cesium containing manganese vanadates via a precursor method","CrystEngComm","2021","23","39","6909","6914","10.1039/D1CE00921D","","","0.71073","MoKα","","0.0202","0.0192","","","0.04","0.0406","","","","","","1.172","","","","has coordinates,has disorder","270431","2021-11-06","19:52:07",""
"7245882","11.0664","0.0006","11.0664","0.0006","23.521","0.002","90","","90","","90","","2880.5","0.3","140","2","140","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C37.6 H21.2 Cu2 I8 N4.8 O12 -","- C37.6 H21.2 Cu2 I8 N4.8 O12 -","- C75.2 H42.4 Cu4 I16 N9.6 O24 -","2","0.125","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0742","0.0539","","","0.147","0.1569","","","","","","1.089","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7247256","30.517","0.004","30.517","0.004","35.19","0.006","90","","90","","90","","32772","8","150","","150","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C360 H540 Ag148 Br30 S26 -","- C360 H540 Ag148 Br30 S26 -","- C720 H1080 Ag296 Br60 S52 -","2","0.125","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.1586","0.1233","","","0.3418","0.3783","","","","","","1.511","","","","has coordinates,has disorder","286740","2023-10-06","00:06:13",""
"7701446","7.6005","0.0003","7.6005","0.0003","10.4006","0.001","90","","90","","90","","600.82","0.07","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- B4 O14 Sr5 Te -","- B4 O14 Sr5 Te -","- B8 O28 Sr10 Te2 -","2","0.125","","Tang, Ruling; Hu, Chunli; Feng, Jianghe; Fang, Zhi; Chen, Yan; Kong, Fang; Mao, Jianggao","Sr<sub>5</sub>TeO<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub> and NaSr<sub>5</sub>(BO<sub>3</sub>)(SiO<sub>4</sub>)<sub>2</sub>: two inorganic metal borate derivatives with diverse zero dimensional anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3743","3749","10.1039/c9dt03839f","","","0.71073","MoKα","","0.0387","0.0309","","","0.0747","0.081","","","","","","1.108","","","","has coordinates","250319","2020-10-21","18:00:00",""
"8100798","14.105","0.005","14.105","0.005","12.476","0.007","90","","90","","90","","2482.3","1.9","293","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- K4 Mn Mo4 O53 Si W7 -","- K4 Mn0.96 Mo3.96 O53 Si W6.96 -","- K8 Mn1.92 Mo7.92 O106 Si2 W13.92 -","2","0.125","","Ye, Sheng-Rong; Shan, Yong-Kui; He, Ming-Yuan; Dai, Li-Yi","Crystal structure of tetrapotassium dihydrogen heptatungsteno tetramolybdeno monomanganese monoaquasilicate hydrate, K~4~H~2~[SiW~7~Mo~4~Mn(H~2~O)O~39~] · 13H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","451","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100829","14.105","0.005","14.105","0.005","12.476","0.007","90","","90","","90","","2482.3","1.9","293","2","293","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- H30 K4 Mo7 Ni O53 Si W4 -","- K4 Mo7 Ni0.96 O53 Si W3.96 -","- K8 Mo14 Ni1.92 O106 Si2 W7.92 -","2","0.125","","Yu, Shu-Yuan; Lu, Jia-Xing; Shan, Yong-Kui; He, Ming-Yuan; Dai, Li-Yi","Crystal structure of tetrapotassium dihydrogen tetratungsteno heptamolybdeno mononickel monoaquasilicate hydrate, K~4~H~2~[SiW~4~Mo~7~Ni(H~2~O)O~39~] · 13H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","449","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100980","7.2097","0.0008","7.2097","0.0008","7.4587","0.0009","90","","90","","90","","387.7","0.08","300","2","300","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- B14 Ho4 Ni -","- B14 Ho4 Ni -","- B28 Ho8 Ni2 -","2","0.125","","Geupel, Sandra; Zahn, Gernot; Paufler, Peter; Graw, Gerald","Crystal structure of tetraholmium nickel tetradecaboride, Ho~4~NiB~14~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","175","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103951","6.755","","6.755","","10.119","","90","","90","","90","","461.73","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(N O)2 (Ti Cl6)","","- Cl6 N2 O2 Ti -","- Cl6 N2 O2 Ti -","- Cl12 N4 O4 Ti2 -","2","0.125","","Henke, H.","Crystal structures and phase transitions of (N O)2 Ti Cl6","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","474","483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103954","6.678","","6.678","","10.238","","90","","90","","90","","456.571","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(N O)2 (V Cl6)","","- Cl6 N2 O2 V -","- Cl6 N2 O2 V -","- Cl12 N4 O4 V2 -","2","0.125","","Henke, H.","Crystal structures, order-disorder transition and twinning of the Jahn-Teller system (N O)2 V Cl6","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","617","625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104160","14.105","","14.105","","12.476","","90","","90","","90","","2482.11","","","","","","","","","","","","","7","P 4/m n c","-P 4 2n","128","","K4 H2 (Si W7 Mo4 Mn (H2 O) O39) (H2 O)13","","- H30 K4 Mn Mo4 O53 Si W7 -","- K4 Mn0.9996 Mo3.9996 O53 Si W6.9996 -","- K8 Mn1.9992 Mo7.9992 O106 Si2 W13.9992 -","2","0.125","","Ye, S.-R.; He, M.-Y.; Shan, Y.-K.; Dai Liyi","Crystal structure of tetrapotassium dihydrogen heptatungsteno tetramolybdeno monomanganese monoaquasilicate hydrate, K4 H2 (Si W7 Mo4 Mn (H2 O) O39) * 13(H2 O)","Zeitschrift fuer Kristallographie - New Crystal Structures","2002","217","","451","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9000245","8.963","","8.963","","15.804","","90","","90","","90","","1269.62","","","","","","","","","","","","Phoenix mine, Keweenaw Peninsula, Michigan, USA","7","P 4/m n c","-P 4 2n","128","","","Fluorapophyllite","- Ca4 F H16 K0.84 Na0.16 O28 Si8 -","- Ca4 F H16 K0.84 Na0.16 O28 Si8 -","- Ca8 F2 H32 K1.68 Na0.32 O56 Si16 -","2","0.125","","Colville, A. A.; Anderson, C. P.; Black, P. M.","Refinement of the crystal structure of apophyllite I. X-ray diffraction and physical properties","American Mineralogist","1971","56","","1222","1233","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"9000246","8.965","","8.965","","15.767","","90","","90","","90","","1267.21","","","","","","","","","","","","Mont. St. Hilaire, Quebec, Canada","6","P 4/m n c","-P 4 2n","128","","","Fluorapophyllite","- Ca4 F H16 K O28 Si8 -","- Ca4 F H16 K O28 Si8 -","- Ca8 F2 H32 K2 O56 Si16 -","2","0.125","","Chao G Y","The refinement of the crystal structure of apophyllite II. Determination of the hydrogen positions by X-ray diffraction Note: O1-B23 changed to match symmetry constraints","American Mineralogist","1971","56","","1234","1242","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000247","8.96","","8.96","","15.8","","90","","90","","90","","1268.45","","","","","","","","","","","","Centerville, Virginia, USA","6","P 4/m n c","-P 4 2n","128","","","Fluorapophyllite","- Ca4 F H16 K O28 Si8 -","- Ca4 F H16 K O28 Si8 -","- Ca8 F2 H32 K2 O56 Si16 -","2","0.125","","Prince E","Refinement of the crystal structure of apophyllite III. Determination of the hydrogen positions by neutron diffraction","American Mineralogist","1971","56","","1243","1251","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000605","8.979","","8.979","","15.83","","90","","90","","90","","1276.25","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","Hydroxyapophyllite","- Ca4 H17 K O29 Si8 -","- Ca4 H17 K O29 Si8 -","- Ca8 H34 K2 O58 Si16 -","2","0.125","","Rouse R C; Peacor D R; Dunn P J","Hydroxyapophyllite, a new mineral, and a redefinition of the apophyllite group II. Crystal structure Note: sample is from Kimberley, South Africa","American Mineralogist","1978","63","","196","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:51",""
"9005146","8.9639","","8.9639","","15.754","","90","","90","","90","","1265.86","","","","","","","","","","","","Poona, India","6","P 4/m n c","-P 4 2n","128","","","Fluorapophyllite-(K)","- Ca4 F H13.76 K O26.88 Si8 -","- Ca4 F H13.76 K O26.88 Si8 -","- Ca8 F2 H27.52 K2 O53.76 Si16 -","2","0.125","","Stahl, K.","A neutron powder diffraction study of partially dehydrated fluorapophyllite, KCa4Si8O20F*6.9H2O","European Journal of Mineralogy","1993","5","","845","849","","","","","","","","","","","","","","","","","","","","","","has coordinates","287586","2023-11-14","17:15:05",""
"9012139","7.0138","","7.0138","","10.402","","90","","90","","90","","511.71","","","","","","","","","","","","Synthetic","3","P 4/m n c","-P 4 2n","128","","","Chiolite","- Al3 F14 Na5 -","- Al3 F14 Na5 -","- Al6 F28 Na10 -","2","0.125","","Jacoboni, C.; Leble, A.; Rousseau, J. J.","Determination precise de la structure de la chiolite Na5Al3F14 et etude par R.P.E. de Na5Al3F14:Cr3+","Journal of Solid State Chemistry","1981","36","","297","304","10.1016/0022-4596(81)90440-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""