# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T08:41:08+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 1 2/m 1' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000046","5.593","0.006","3.645","0.004","22.45599","0.027","90","","96.97","0.02","90","","454.4","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Pentacalcium 16-oxodihydroxohexasilicate tetrahydrate","Clinotobermorite","- Ca5 H10 O22 Si6 -","- Ca5 H10 O19 Si6 -","- Ca5 H10 O19 Si6 -","1","0.125","","Hoffmann, C; Armbruster, T","Clinotobermorite, Ca5 (Si3 O8 (O H))2 . 4(H2 O) Ca5 (Si6 O17) . 5 (H2 O), a natural C-S-H(I) type cement mineral: determination of the substructure","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","863","873","","","","","","","0.0671","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:06",""
"1008058","6.2821","0.0007","3.6491","0.0004","10.844","0.001","90","","92.24","0.01","90","","248.4","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Nickel dirhodium(III) selenide","","- Ni Rh2 Se4 -","- Ni Rh2 Se4 -","- Ni2 Rh4 Se8 -","2","0.25","","Bouchard, R J","The crystal structure and transport properties of Ni Rh~2~ Se~4~","Inorganic Chemistry","1969","8","","850","856","10.1021/ic50074a030","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008079","5.94","","3.42","","11.14","","90","","91.05","","90","","226.3","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Dichromium nickel tetrasulfide","","- Cr2 Ni S4 -","- Cr2 Ni S4 -","- Cr4 Ni2 S8 -","2","0.25","","Andron, B; Bertaut, E F","Etude par Diffraction neutronique de Cr~2~ Ni S~4~","Journal de Physique (Paris)","1966","27","","619","626","10.1051/jphys:01966002709-10061900","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008813","10.227","0.003","14.907","0.008","9.964","0.006","90","","90.77","0.04","90","","1518.9","","","","","","","","","","","","artificial at 1770 K for 10 h","4","I 1 2/m 1","-I 2y","12","","Barium titanium magnesium oxide (1.2/6.8/1.2/16)","Hollandite (Ti, Mg)","- Ba1.2 Mg1.2 O16 Ti6.8 -","- Ba1.2 Mg1.2 O16 Ti6.8 -","- Ba6 Mg6 O80 Ti34 -","5","0.625","","Fanchon, E.; Vicat, J.; Hodeau, J. L.; Wolfers, P.; Duc Tran Qui; Strobel, P.","Commensurate ordering and domains in the Ba1.2 Ti6.8 Mg1.2 O16 Hollandite.","Acta Crystallographica B (39,1983-)","1987","43","5","440","448","10.1107/S0108768187097520","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","188424","2020-10-21","18:00:00",""
"1008921","6.299","0.002","3.607","0.001","11.731","0.003","90","","91.87","","90","","266.4","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","Chromium selenide (3/4)","","- Cr3 Se4 -","- Cr3 Se4 -","- Cr6 Se8 -","2","0.25","","Chevreton, M; Bertaut, F","Etude de seleniures de chrome.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1961","253","","145","147","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008948","10.227","0.003","2.981","0.008","9.964","0.006","90","","90.77","0.04","90","","303.7","","","","","","","","","","","","substructure","4","I 1 2/m 1","-I 2y","12","","Barium titanium magnesium oxide (1.2/6.8/1.2/16)","Hollandite","- Ba1.2 Mg1.2 O16 Ti6.8 -","- Ba1.18 Mg1.2 O16 Ti6.8 -","- Ba1.18 Mg1.2 O16 Ti6.8 -","1","0.125","","Fanchon, E; Vicat, J; Hodeau, J L; Wolfers, P; Duc Tran Qui; Strobel, P","Commensurate ordering and domains in the Ba1.2 Ti6.8 Mg1.2 O16 hollandite.","Acta Crystallographica B (39,1983-)","1987","43","","440","448","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010188","7.17","","7.17","","10.14","","90","","90","0","90","","521.3","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Potassium hexachlorotellurate(IV)","","- Cl6 K2 Te -","- Cl6 K2 Te -","- Cl12 K4 Te2 -","2","0.25","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011146","9.78","","17.79999","","5.26","","90","","73.97","","90","","880.1","","","","","","","","","","","","from New York localities","5","I 1 2/m 1","-I 2y","12","","Dicalcium pentamagnesium dihydrogen octakis(catena-silicate)","Tremolite","- Ca2 H2 Mg5 O24 Si8 -","- Ca2 H3 Mg5 O24 Si8 -","- Ca4 H6 Mg10 O48 Si16 -","2","0.25","","Warren, B E","The crystal structure and chemical composition of the monoclinic amphiboles.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","72","","493","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011222","9.77","","17.79999","","5.26","","90","","73.97","","90","","879.2","","","","","","","","","","","","from New York localities","5","I 1 2/m 1","-I 2y","12","","Dicalcium pentamagnesium catena-octasilicate dihydroxide","Tremolite","- Ca2 H2 Mg5 O24 Si8 -","- Ca2 H3 Mg5 O24 Si8 -","- Ca4 H6 Mg10 O48 Si16 -","2","0.25","","Warren, B E","The structure of tremolite H2 Ca2 Mg5 (Si O3)8","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1929","72","","42","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510367","8.52","","7.243","","11.21","","90","","101.24","","90","","678.504","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Rb2 (Au Br2) (Au Br4)","","- Au2 Br6 Rb2 -","- Au2 Br6 Rb2 -","- Au4 Br12 Rb4 -","2","0.25","","Koelmel, M.; Straehle, J.; Gelinek, J.","Ueber den thermischen Abbau einiger Alkalimetall- und Ammoniumhalogenoaurate(III) und die Kristallstruktur der Zersetzungsprodukte Rb2 Au2 Br6, Rb3 Au3 Cl8 und Au (N H3) Cl3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","456","","241","460","10.1002/zaac.19794560125","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510540","4.6042","","13.895","","10.396","","90","","90","","90","","665.088","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","La3 Au4 In7","","- Au4 In7 La3 -","- Au4 In7 La3 -","- Au8 In14 La6 -","2","0.25","","Poettgen, R.; Hoffmann, R.D.; Galadzhun, Ya.V.; Zaremba, V.I.; Kal'ichak, Ya.M.","The Structure of La3 Au4 In7 and its relation to the Ba Al4 Type","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1773","1777","10.1002/1521-3749(200008)626:8<1773::AID-ZAAC1773>3.0.CO;2-S","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510868","5.855","","10.3354","","8.2808","","90","","89.512","","90","","501.084","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","Tb1.069 B28","","- B28 Tb1.069 -","- B28 Tb1.0692 -","- B56 Tb2.1384 -","2","0.25","","Zhang, F.; Tanaka, T.; Mori, T.","Synthesis and magnetic properties of binary boride RE B25 compounds","Journal of Physics: Condensed Matter","2001","13","","423","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513977","9.834","0.001","2.7846","0.0005","10.191","0.001","90","","92.27","","90","","278.85","0.06","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Lithium Manganese Oxide (2.7/6.6/16)","Hollandite, lithian","- Li2.72 Mn6.64 O16 -","- Mn6.64 O16 -","- Mn6.64 O16 -","1","0.125","","Botkovitz, P.; Brec, R.; Deniard, P.; Tournoux, M.; Burr, G.","Electrochemical and neutron diffraction study of a prelithiated hollandite-type Lix Mn O2 phase","Molecular Crystals and Liquid Crystals","1994","244","","233","238","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1515794","14.3831","0.0017","10.975","0.0013","19.628","0.002","90","","95.579","0.002","90","","3083.7","0.6","90","2","90","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C68 H88 Cl2 Ge2 O2 -","- C68 H88 Cl2 Ge2 O2 -","- C136 H176 Cl4 Ge4 O4 -","2","0.25","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0696","0.0543","","","0.1459","0.1511","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515795","14.908","0.004","11.003","0.003","19.38","0.005","90","","98.493","0.004","90","","3144.1","1.5","90","2","90","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C72 H84 Cl2 Sn2 -","- C74 H84 Cl2 Sn2 -","- C148 H168 Cl4 Sn4 -","2","0.25","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.1096","0.0792","","","0.2301","0.2419","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521081","11.885","","11.54","","15.636","","90","","90.23","","90","","2144.5","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Pb5 Bi18 P4 O42","","- Bi18 O42 P4 Pb5 -","- Bi18 O42.02 P4 Pb5 -","- Bi36 O84.04 P8 Pb10 -","2","0.25","","Giraud, S.; Steinfink, H.; Swinnea, S.; Wignacourt, J.P.; Harlow, R.","Crystal structure of Pb5 Bi18 P4 O42: a fluorite-related superstructure","Journal of Solid State Chemistry","2000","151","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521773","5.8693","","3.41244","","11.055","","90","","91.544","","90","","221.336","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(Ni0.25 Cr2.75) S4","","- Cr2.75 Ni0.25 S4 -","- Cr2.751 Ni0.249 S4 -","- Cr5.502 Ni0.498 S8 -","2","0.25","","Powell, A.V.; Colgan, D.C.; Ritter, C.","Magnetic structure and spin reorientation in the ternary sulfides, Nix Cr3-x S4 (x = 1/4, 1/2, 3/4)","Journal of Solid State Chemistry","1999","143","","163","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521774","5.891","","3.41377","","11.101","","90","","91.67","","90","","223.152","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(Ni0.5 Cr2.5) S4","","- Cr2.5 Ni0.5 S4 -","- Cr2.5 Ni0.5 S4 -","- Cr5 Ni S8 -","2","0.25","","Powell, A.V.; Colgan, D.C.; Ritter, C.","Magnetic structure and spin reorientation in the ternary sulfides, Nix Cr3-x S4 (x = 1/4, 1/2, 3/4)","Journal of Solid State Chemistry","1999","143","","163","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524792","6.17","","3.56","","10.94","","90","","91.73","","90","","240.19","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Fe2 Ni Se4","","- Fe3 Ni2 Se4 -","- Fe3 Ni2 Se4 -","- Fe6 Ni4 Se8 -","2","0.25","","Lambert-Andron, B.; Babot, D.; Berodias, G.","Structures magnetiques des composes M Fe2 Se4 (M = Ti, V, Cr, Fe, Co, Ni)","Journal of Physics and Chemistry of Solids","1972","33","","87","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525987","3.5005","","3.573","","5.0015","","90","","91.677","","90","","62.528","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(Mn0.55 Ta0.45) O1.7","","- Mn0.55 O1.7 Ta0.45 -","- Mn0.55 O1.7 Ta0.45 -","- Mn1.1 O3.4 Ta0.9 -","2","0.25","","Esmaeilzadeh, S.; Lidin, S.; Nygren, M.; Grins, J.","Single crystal refinement of the incommensurately modulated Mn0.55 Ta0.45 O1.7, an oxygen deficient fluorite type compound","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","148","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1526700","14.0939","","5.6455","","11.509","","90","","90.683","","90","","915.673","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Eu6 Mg7 D26","","- D26 Eu6 Mg7 -","- D26 Eu6 Mg7 -","- D52 Eu12 Mg14 -","2","0.25","","Kohlmann, H.; Bertheville, B.; Hansen, T.; Yvon, K.","High-pressure synthesis of novel europium magnesium hydrides","Journal of Alloys Compd.","2001","322","","59","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1526759","6.231","","8.76","","6.214","","90","","90.58","","90","","339.165","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba (Ce0.85 Y0.15) O2.925","","- Ba Ce0.85 O2.925 Y0.15 -","- Ba Ce0.85 O2.924 Y0.15 -","- Ba4 Ce3.4 O11.696 Y0.6 -","4","0.5","","Takeuchi, K.; Loong, C.-K.; Richardson, J.W.jr.; Guan, J.; Dorris, S.E.; Balachandran, U.","The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping","Solid State Ionics","2000","138","","63","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526761","6.242","","8.731","","6.23","","90","","91.15","","90","","339.46","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba (Ce0.8 Y0.2) O2.9","","- Ba Ce0.8 O2.9 Y0.2 -","- Ba Ce0.8 O2.9 Y0.2 -","- Ba4 Ce3.2 O11.6 Y0.8 -","4","0.5","","Takeuchi, K.; Dorris, S.E.; Loong, C.-K.; Guan, J.; Richardson, J.W.jr.; Balachandran, U.","The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping","Solid State Ionics","2000","138","","63","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526763","6.239","","8.726","","6.235","","90","","91.24","","90","","339.363","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba (Ce0.75 Y0.25) O2.875","","- Ba Ce0.75 O2.875 Y0.25 -","- Ba Ce0.75 O2.874 Y0.25 -","- Ba4 Ce3 O11.496 Y -","4","0.5","","Takeuchi, K.; Loong, C.-K.; Balachandran, U.; Guan, J.; Dorris, S.E.; Richardson, J.W.jr.","The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping","Solid State Ionics","2000","138","","63","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526768","6.243","","8.725","","6.243","","90","","91.54","","90","","339.934","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba (Ce0.7 Y0.3) O2.85","","- Ba Ce0.7 O2.85 Y0.3 -","- Ba Ce0.7 O2.85 Y0.3 -","- Ba4 Ce2.8 O11.4 Y1.2 -","4","0.5","","Takeuchi, K.; Balachandran, U.; Loong, C.-K.; Richardson, J.W.jr.; Guan, J.; Dorris, S.E.","The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping","Solid State Ionics","2000","138","","63","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526784","11.24","","11.71","","10.25","","90","","96.08","","90","","1341.52","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","Na3.82 C60","","- C59 Na3.82 -","- C60 Na3.82 -","- C120 Na7.64 -","2","0.25","","Kubozono, Y.; Fujiki, S.; Kambe, T.; Takabayashi, Y.; Kashino, S.; Emura, S.","Structure and physical properties of Na4 C60 under ambient and highpressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","0454181","0454189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527085","6.857","","3.954","","12.272","","90","","91.17","","90","","332.656","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","(Cr5 Te6)1.333","","- Cr6.665 Te7.998 -","- Cr6.66 Te8 -","- Cr6.66 Te8 -","1","0.125","","Andresen, A.F.","The magnetic structure of Cr2 Te3, Cr3 Te4 and Cr5 Te6","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3495","3509","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527086","6.208","","3.541","","11.281","","90","","91.807","","90","","247.862","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- Fe3 Se4 -","- Fe3 Se4 -","- Fe6 Se8 -","2","0.25","","Andresen, A.F.; van Laar, R.","The magnetic structure of Fe3 Se4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","2435","2439","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528320","14.2446","","13.7884","","15.5","","90","","116.709","","90","","2719.53","","","","","","","","","","","","","8","I 1 2/m 1","-I 2y","12","","Na4 K4 Ba2 Mn Ti8 (Si4 O12)4 (O H)16 (H2 O)2","","- Ba2 H20 K4 Mn Na4 O66 Si16 Ti8 -","- Ba2 K4 Mn Na4 O66 Si16 Ti8 -","- Ba4 K8 Mn2 Na8 O132 Si32 Ti16 -","2","0.25","","Armbruster, T.; Krivovichev, S.V.; Organova, N.N.; Weber, T.; Gnos, E.; Yakovenchuk, V.N.; Shlyukova, Z.V.","Origin of diffuse superstructure reflections in labuntsovite-group minerals","American Mineralogist","2004","89","","1655","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528499","6.07918","","6.04547","","8.53909","","90","","90.134","","90","","313.824","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba2 Nd Nb O6","","- Ba2 Nb Nd O6 -","- Ba2 Nb Nd O6 -","- Ba4 Nb2 Nd2 O12 -","2","0.25","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528503","6.14448","","6.09131","","8.604","","90","","90.348","","90","","322.024","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Ba2 La Nb O6 -","- Ba2 La Nb O6 -","- Ba4 La2 Nb2 O12 -","2","0.25","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528560","9.7993","","4.0014","","9.4905","","90","","91.759","","90","","371.956","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","La4 Pt O7","","- La4 O7 Pt -","- La4 O7 Pt -","- La8 O14 Pt2 -","2","0.25","","Hansen, T.J.; Macquart, R.B.; zur Loye, H.C.; Smith, M.D.","Crystal growth and structures of three new platinates: Ln3 Na Pt O7 (Ln = La, Nd) and La4 Pt O7","Solid State Sciences","2007","9","","785","791","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528637","5.6304","","5.6226","","7.9434","","90","","90.04","","90","","251.468","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","La1.667 Mg Ta O6","","- La1.667 Mg O6 Ta -","- La1.66666 Mg O6 Ta -","- La3.33332 Mg2 O12 Ta2 -","2","0.25","","Khalyavin, D.D.; Vieira, L.G.; Senos, A.M.R.; Argyriou, D.N.; Gomes, I.T.; Mantas, P.Q.; Ribeiro, J.L.","Structure and dielectric characterization of a new A-site deficient La5/3 Mg Ta O6 perovskite","Journal of Solid State Chemistry","2007","180","","41","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529095","14.5263","","3.7944","","7.7219","","90","","93.727","","90","","424.72","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","H0.95 (Mo O3)","","- H0.95 Mo O3 -","- H0.95 Mo O3 -","- H7.6 Mo8 O24 -","8","1","","Adams, S.; Moretzki, O.; Canadell, E.","Global instability index optimisation for the localization of mobile protons","Solid State Ionics","2004","168","","281","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530968","5.949","","3.236","","11.67","","90","","92.91","","90","","224.369","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","V Mo2 S4","","- Mo2 S4 V -","- Mo2 S4 V -","- Mo4 S8 V2 -","2","0.25","","Wada, H.; Nozaki, H.; Onoda, M.; Kawada, I.","Phase relations and structure of V3-x Mox S4 (0<x<2)","Journal of Solid State Chemistry","1986","63","","369","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531183","14.254","","5.6711","","11.575","","90","","90.588","","90","","935.626","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Sr6 Mg7 D26","","- D26 Mg7 Sr6 -","- D26 Mg7 Sr6 -","- D52 Mg14 Sr12 -","2","0.25","","Bertheville, B.; Kohlmann, H.; Sheptyakov, D.; Yvon, K.","Sr6 Mg7 H26, a new saline high-pressure hydride with (Ba6 Zn7 F26)-type structure","Journal of Alloys Compd.","2003","356","","128","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531989","10.587","","3.0311","","10.515","","90","","90.03","","90","","337.429","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","(Fe7.6 Ni0.4) O6.44 (O H)9.56 Cl1.16","","- Cl1.16 Fe7.6 H9.56 Ni0.4 O16 -","- Cl1.16 Fe7.6 H9.28 Ni0.4 O16 -","- Cl1.16 Fe7.6 H9.28 Ni0.4 O16 -","1","0.125","","Post, J.E.; Heaney, P.J.; von Dreele, R.B.; Hanson, J.C.","Neutron and temperature-resolved synchrotron X-ray powder diffraction study of akaganeite","American Mineralogist","2003","88","","782","788","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532432","8.278","","10.327","","5.86","","90","","90.46","","90","","500.937","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Y0.6 B14 C0.8","","- C0.8 B14 Y0.6 -","- C0.801 B14 Y0.601 -","- C3.204 B56 Y2.404 -","4","0.5","","Zhang, F.X.; Xu, F.F.; Leithe-Jasper, A.; Mori, T.; Salamakha, P.; Sato, A.; Tanaka, T.; Bando, Y.","Incorporation of carbon atoms in rare earth boron-rich solids and formation of superstructures","Journal of Alloys Compd.","2002","337","","120","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532433","16.0238","","21.7577","","5.6412","","90","","90.182","","90","","1966.74","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Y1.01 B25 C4.513","","- C4.513 B25 Y1.01 -","- C4.51335 B25 Y1.01005 -","- C36.1068 B200 Y8.0804 -","8","1","","Zhang, F.X.; Xu, F.F.; Leithe-Jasper, A.; Mori, T.; Salamakha, P.; Tanaka, T.; Sato, A.; Bando, Y.","Incorporation of carbon atoms in rare earth boron-rich solids and formation of superstructures","Journal of Alloys Compd.","2002","337","","120","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532808","6.288","","3.608","","11.728","","90","","91.304","","90","","266.005","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","(Cu0.4 Co0.6) (Cr2 Se4)","","- Co0.6 Cr2 Cu0.4 Se4 -","- Co0.6 Cr2 Cu0.4 Se4 -","- Co1.2 Cr4 Cu0.8 Se8 -","2","0.25","","Okonska-Kozlowska, I.; Maciazek, E.; Ratuszna, A.","Crystal structure of Cu Cr2 Se4, Cu0.8 Co0.2 Cr2 Se4 and Cu0.4 Co0.6 Cr2 Se4","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","54","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533416","11.9539","","11.6004","","15.724","","90","","90.25","","90","","2180.43","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Pb5 Bi18 (P O4)4 O26","","- Bi18 O42 P4 Pb5 -","- Bi18 O42 P4 Pb5 -","- Bi36 O84 P8 Pb10 -","2","0.25","","Giraud, S.; Obbade, S.; Suard, E.; Wignacourt, J.P.; Steinfink, H.","Structures and ionic conductivities in two fluorite type families: Pb5 Bi17 X5 O43 and Pb5 Bi18 X4 O42 (X = P, V and As)","Solid State Sciences","2003","5","","335","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533804","9.9942","","14.7851","","10.2655","","90","","90.88","","90","","1516.7","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Ba5.93 Ti40 O80","","- Ba5.93 O80 Ti40 -","- Ba5.936 O80 Ti40 -","- Ba5.936 O80 Ti40 -","1","0.125","","Hoeche, T.; Ruessel, C.; Keding, R.; Olhe, P.; van Aken, P.A.; Schneider, R.; Stemmer, S.; Wang Xiqu; Jacobson, A.J.; Kleebe, H.J.","Synthesis and characterization of mixed-valence barium titanates","Philosophical Magazine, Serie 8(1956-)","2003","83","","165","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534361","6.32","","3.62","","11.77","","90","","91.67","","90","","269.164","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- Cr3 Se4 -","- Cr3 Se4 -","- Cr6 Se8 -","2","0.25","","Chevreton, M.; Bertaut, E.F.","Etude de seleniures de chrome.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1961","253","","145","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536345","7.149","","7.368","","9.404","","90","","96.29","","90","","492.363","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Cs2 Mg Cu3 F10","","- Cs2 Cu3 F10 Mg -","- Cs2 Cu3 F10 Mg -","- Cs4 Cu6 F20 Mg2 -","2","0.25","","Kaiser, V.; Dahlke, P.; Babel, D.","Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M= Mg, Mn, Co, Ni), Varianten des (CsCu2F5)-Typs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","993","1000","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"1536349","7.163","","7.377","","9.382","","90","","97.09","","90","","491.968","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Cs2 Ni Cu3 F10","","- Cs2 Cu3 F10 Ni -","- Cs2 Cu3 F10 Ni -","- Cs4 Cu6 F20 Ni2 -","2","0.25","","Kaiser, V.; Dahlke, P.; Babel, D.","Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M = Mg, Mn, Co, Ni), Varianten des (Cs Cu2 F5) - Typs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","993","1000","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"1536353","7.178","","7.391","","9.394","","90","","97.49","","90","","494.124","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Cs2 Co Cu3 F10","","- Co Cs2 Cu3 F10 -","- Co Cs2 Cu3 F10 -","- Co2 Cs4 Cu6 F20 -","2","0.25","","Kaiser, V.; Dahlke, P.; Babel, D.","Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M = Mg, Mn, Co, Ni), Varianten des (Cs Cu2 F5) - Typs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","993","1000","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"1536800","13.033","","18.717","","12.264","","90","","99.62","","90","","2949.59","","","","","","","","","","","","","8","I 1 2/m 1","-I 2y","12","","Na5.8 K0.45 Mn (Ti0.75 Nb0.25) (Si10 O24) (O H)3.5 O0.5 (H2 O)4","","- H11.5 K0.45 Mn Na5.8 Nb0.25 O32 Si10 Ti0.75 -","- K0.45 Mn Na5.8 Nb0.25 O32 Si10 Ti0.75 -","- K1.8 Mn4 Na23.2 Nb O128 Si40 Ti3 -","4","0.5","","Yamnova, N.A.; Egorov-Tismenko, Yu.K.; Khomyakov, A.P.","Crystal structure of a new natural (Na, Mn, Ti)-phyllosilicate","Kristallografiya","1996","41","","257","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"1537570","6.2","","3.53","","11.26","","90","","91.73","","90","","246.324","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- Fe3 Se4 -","- Fe3 Se4 -","- Fe6 Se8 -","2","0.25","","Lambert-Andron, B.; Berodias, G.","Etude par diffraction neutronique de Fe3 Se4","Solid State Communications","1969","7","","623","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541112","6.1908","","6.145","","8.6785","","90","","90.164","","90","","330.15","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Ba Bi O3 -","- Ba Bi O3 -","- Ba4 Bi4 O12 -","4","0.5","","Pei, S.; Jorgensen, J.D.; Dabrowski, B.; Sinha, S.K.; Vaknin, D.; Mitchell, A.W.; Hinks, D.G.; Richards, D.R.; Newsam, J.M.; Jacobson, A.J.","Structural phase diagram of the Ba1-x Kx Bi O3 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","","4126","4141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541113","6.1551","","6.1088","","8.6256","","90","","90.077","","90","","324.325","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba.9 K.1 Bi O3","","- Ba0.9 Bi K0.1 O3 -","- Ba0.93 Bi K0.07 O3 -","- Ba3.72 Bi4 K0.28 O12 -","4","0.5","","Pei, S.; Jorgensen, J.D.; Hinks, D.G.; Dabrowski, B.; Jacobson, A.J.; Newsam, J.M.; Richards, D.R.; Mitchell, A.W.; Vaknin, D.; Sinha, S.K.","Structural phase diagram of the Ba1-x Kx Bi O3 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","","4126","4141","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541776","8.5287","","17.0442","","9.1844","","90","","92.165","","90","","1334.14","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","(C3 N2 (N H2)3 N H) Cl","","- C3 H7 Cl N6 -","- C3 H7 Cl N6 -","- C24 H56 Cl8 N48 -","8","1","","Jing, H.-P.; Stroebele, M.; Weisser, M.; Meyer, H.J.","Die Kristallstruktur von wasserfreiem Melaminiumchlorid","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","368","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544360","5.7764","0.0013","5.776","0.0011","8.1566","0.0009","90","","90.09","0.019","90","","272.14","0.09","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","Sr2InTaO6 @600C","","","- In O6 Sr2 Ta -","- In O6 Sr2 Ta -","- In2 O12 Sr4 Ta2 -","2","0.25","","Zhou, Q.; Kennedy, B.J.; Avdeev, M.","Crystal struture and phase transitions in Sr2InTaO6 sample: 600 ?C","Physics and Chemistry of Minerals","2013","40","","603","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","209173","2020-10-21","18:00:00",""
"1544721","9.907","0.007","2.865","0.001","9.676","0.008","90","","90.52","0.07","90","","274.6","0.3","","","","","","","","","","","","6","I 1 2/m 1","-I 2y","12","(K1.21Na0.44Ba0.08)(Mn7.85Fe0.15)O16","","monoclinic cryptomelane","- Ba0.08 Fe0.15 K1.21 Mn7.85 Na0.44 O16 -","- Ba0.06 Fe0.16 K1.21 Mn7.84 Na0.44 O16 -","- Ba0.06 Fe0.16 K1.21 Mn7.84 Na0.44 O16 -","1","0.125","","Kubo, H.; Miura, H.; Hariya, Y.","Tetragonal-monoclinic transformation of cryptomelane at high temperature","Mineralogical Journal","1990","15","","50","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","209173","2020-10-21","18:00:00",""
"1550680","18.9188","0.0012","10.3807","0.0006","35.7997","0.0016","90","","97.509","0.004","90","","6970.4","0.7","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C138 H202 F19 N6 O18 S6 -","- C138 H202 F19 N6 O18 S6 -","- C276 H404 F38 N12 O36 S12 -","2","0.25","","Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor","Chemical Science","2019","","","","","10.1039/C8SC05477K","","x-ray","0.71073","MoKα","","0.1916","0.159","","","0.3767","0.396","","","","","","1.173","","","","has coordinates,has disorder","213904","2020-10-21","18:00:00",""
"1551545","26.5695","0.001","17.056","0.0005","21.1219","0.0008","90","","104.26","0.004","90","","9276.9","0.6","102","4","102","4","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C246 H126 Co6 N8 P6 Te8 -","- C246 H126 Co6 N8 P6 Te8 -","- C492 H252 Co12 N16 P12 Te16 -","2","0.25","","Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy","Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal","Nature Chemistry","2017","9","","1170","1174","10.1038/nchem.2844","","x-ray","1.54184","CuKα","","0.1162","0.1048","","","0.2802","0.2957","","","","","","1.19","","","","has coordinates,has disorder","216155","2020-10-21","18:00:00",""
"1557509","25.8186","0.0007","22.6806","0.0006","27.2079","0.0006","90","","109.69","0.003","90","","15000.9","0.7","150","2","150","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C53 H31 Cu2 N O12 -","- C53 H31 Cu2 N O12 -","- C424 H248 Cu16 N8 O96 -","8","1","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","x-ray","0.71073","MoKα","","0.1244","0.0758","","","0.2011","0.2289","","","","","","1.035","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1559160","14.8483","0.0015","7.1717","0.0007","15.88","0.003","90","","92.699","0.011","90","","1689.1","0.4","99.5","0.7","99.5","0.7","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C12.8 H10 Fe N10 O0.4 Pt -","- C12.8 H10 Fe N10 O0.4 Pt -","- C51.2 H40 Fe4 N40 O1.6 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.1277","0.1183","","","0.28","0.2875","","","","","","1.196","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559162","14.9798","0.0016","7.3662","0.0006","16.181","0.002","90","","91.922","0.009","90","","1784.5","0.3","260","0.1","260","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C12.8 H10 Fe N10 O0.4 Pt -","- C12.8 H10 Fe N10 O0.4 Pt -","- C51.2 H40 Fe4 N40 O1.6 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.0793","0.0693","","","0.1773","0.187","","","","","","1.092","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1560371","10.535","0.0008","6.4885","0.0005","18.7172","0.0017","90","","92.323","0.002","90","","1278.39","0.18","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C9 H15 B F4 N6 -","- C9 H15 B F4 N6 -","- C36 H60 B4 F16 N24 -","4","0.5","","Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit","The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac","Chemical Science","2021","12","9","3170","3178","10.1039/D0SC06957D","","","0.71073","MoKα","","0.0844","0.0628","","","0.1506","0.1569","","","","","","1.574","","","","has coordinates","263694","2021-04-05","14:22:18",""
"1561443","12.9999","0.0009","17.2545","0.0013","16.5285","0.0017","90","","97.741","0.0016","90","","3673.7","0.5","100","","100","","","","","","","","see text","4","I 1 2/m 1","-I 2y","12","","","","- C60 H90 Al6 Cu7.33 -","- C60 H90 Al6 Cu7.328 -","- C120 H180 Al12 Cu14.656 -","2","0.25","","Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.","Chemical science","2021","12","19","6588","6599","10.1039/d1sc00268f","","x-ray","0.71073","MoKα","","0.0683","0.0572","","","0.1882","0.1974","","","","","","1.118","","","","has coordinates,has disorder","265910","2021-06-05","17:52:25",""
"1562683","8.8717","0.0008","18.8801","0.0001","9.9362","0.0005","90","","100.916","0.001","90","","1634.19","0.17","150","","150","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C30 H38 Cu2 N4 O19 -","- C30 H38 Cu2 N4 O19 -","- C60 H76 Cu4 N8 O38 -","2","0.25","","Nour Dissem; Prabhjyot Kaur; Love Karan Rana; Thierry Maris; Adam Duong","Synthesis, characterization and Hirshfeld surface analysis of a mixed-ligand copper (II) coordination polymer from 1,4,8,11-tetraazacyclotetradecane and pyromellitic dianhydride","Transition Metal Chemistry","2021","46","","283","290","10.1007/s11243-020-00444-2","","x-ray","1.34139","GaKα","","0.0443","0.0441","","","0.1168","0.1171","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","265329","2021-05-19","13:09:34",""
"1565706","15.599","0.005","10.704","0.005","21.315","0.007","90","","105","0.02","90","","3438","2","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C18 H18 Cl2 Cu N12 O9 -","- C18 H18 Cl2 Cu N12 O9 -","- C72 H72 Cl8 Cu4 N48 O36 -","4","0.5","","Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai","Anion control in the complexation of cucurbit[6]uril with Cu(II) salts","Inorganica Chimica Acta","2020","499","","119183","","10.1016/j.ica.2019.119183","","","0.71069","MoKα","","0.2358","0.2258","","","0.46","0.4644","","","","","","1.188","","","","has coordinates","271364","2021-12-13","10:47:30",""
"1567307","13.809","0.003","8.7376","0.0017","17.19","0.005","90","","99.585","0.005","90","","2045.1","0.8","100","2","100","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C46 H64 N2 O2 -","- C46 H64 N2 O2 -","- C92 H128 N4 O4 -","2","0.25","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","","0.71073","MoKα","","0.0685","0.045","","","0.116","0.1281","","","","","","1.023","","","","has coordinates,has disorder","277665","2022-09-06","09:59:02",""
"1568589","6.5628","0.0004","7.033","0.0004","8.7326","0.0006","90","","96.723","0.006","90","","400.29","0.04","99.98","0.1","99.98","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Nickel(II) chloride hexahydrate","","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","0.71073","MoKα","","0.0186","0.0175","","","0.0396","0.04","","","","","","0.9955","","","","has coordinates","281627","2023-03-05","03:29:45",""
"1568590","6.5579","0.0002","7.0244","0.0003","8.7291","0.0003","90","","96.702","0.004","90","","399.36","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Nickel(II) chloride hexahydrate","","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","1.54184","CuKα","","0.0295","0.0276","","","0.0824","0.0843","","","","","","1.0438","","","","has coordinates","281627","2023-03-05","03:29:53",""
"1571152","10.53","0.002","10.929","0.002","12.931","0.004","90","","96.525","0.004","90","","1478.5","0.6","200","2","200","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","2a in manuscript","","","- C26 H42 Cl2 N2 Si2 -","- C26 H42 Cl2 N2 Si2 -","- C52 H84 Cl4 N4 Si4 -","2","0.25","","Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K","Synthesis and structural properties of <i>para</i>-diselenopyrazines.","Chemical communications (Cambridge, England)","2024","60","28","3786","3789","10.1039/d4cc00460d","","","0.71073","MoKα","","0.1221","0.0662","","","0.1013","0.1195","","","","","","1.028","","","","has coordinates","290805","2024-04-04","22:26:49",""
"1572374","10.0029","0.0011","7.3514","0.0005","10.4776","0.0007","90","","102.8","0.007","90","","751.33","0.11","299.15","","299.15","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C2 H9 N3 O3 S -","- C2 H9 N3 O3 S -","- C8 H36 N12 O12 S4 -","4","0.5","","Li, Yang; Chen, Xinglong; Ok, Kang Min","Strategically designed metal-free deep-ultraviolet birefringent crystals with superior optical properties.","Chemical science","2024","15","37","15145","15151","10.1039/d4sc04155k","","","0.71073","MoKα","","0.0775","0.068","","","0.1391","0.143","","","","","","1.2","","","","has coordinates","295165","2024-10-06","06:52:42",""
"1572636","20.1388","0.0003","53.4956","0.0007","31.8306","0.0004","90","","106.792","0.001","90","","32830.1","0.8","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C240 H172 Cl8 N12 -","- C240 H172 Cl8 N12 -","- C960 H688 Cl32 N48 -","4","0.5","","Stawski, Wojciech; Anderson, Harry Laurence","Polymorphism and flexibility of six-porphyrin nanorings in the solid state","Chemical Science","2024","","","","","10.1039/D4SC05255B","","x-ray","1.54184","CuKα","","0.1626","0.1395","","","0.4051","0.4512","","","","","","1.016","","","","has coordinates,has disorder","294829","2024-09-20","22:26:59",""
"1572938","16.859","0.003","23.453","0.005","17.529","0.01","90","","90.35","0.03","90","","6931","4","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C122 H113 B3 F12 N43 Pd2 -","- C100 H80 B3 F12 N32 Pd2 -","- C200 H160 B6 F24 N64 Pd4 -","2","0.25","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin; Bloch, Witold","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage","Chemical Science","2024","","","","","10.1039/D4SC04913F","","","0.71073","MoKα","","0.0621","0.0534","","","0.1563","0.1629","","","","","","0.984","","","","has coordinates,has disorder","295608","2024-10-24","22:10:07",""
"2004763","9.236","0.002","11.236","0.002","9.283","0.002","90","","90.44","0.02","90","","963.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","Quecksilberdiiodid.(18-Krone-6)","1,4,7,10,13,16-Hexaoxacyclooctadecan-Quecksilberdiiodid","","- C12 H24 Hg I2 O6 -","- C12 H24 Hg I2 O6 -","- C24 H48 Hg2 I4 O12 -","2","0.25","JZ1095","El Essawi, M.; Abd El Khalik, S.; Tebbe, K.-F.","Verfeinerung von Quecksilberdiiodid-(18-Krone-6), Hg(18-krone-6)I~2~","Acta Crystallographica Section C","1996","52","4","818","820","10.1107/S0108270195014697","","","0.71069","MoKα","","0.0203","0.0175","","0.0394","0.0388","","","","1.068","1.106","1.106","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011341","11.255","0.015","6.865","0.0013","11.953","0.0012","90","","104.15","0.02","90","","895.5","1.2","293","","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","6,12-Dihydro-2,8-dihydroxy-1,3,7,9-tetramethyl-dipyrido[1,2-a:1',2'-d] pyrazinediylium dichloride dihydrate","","- C16 H24 Cl2 N2 O4 -","- C16 H18 Cl2 N2 O4 -","- C32 H36 Cl4 N4 O8 -","2","0.25","NA1479","Košutić-Hulita, Nada; Danilovski, Aleksandar; Malešević, Miroslav; Orešić, Marina; Dumić, Miljenko","2,8-Dihydroxy-1,3,7,9-tetramethyl-6,12-dihydrodipyrido[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazinediylium dichloride dihydrate","Acta Crystallographica Section C","2000","56","9","1144","1145","10.1107/S0108270100008313","","","0.71073","MolybdenumKα","","0.0594","0.0477","","","","0.1685","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014172","8.7249","0.0012","12.238","0.003","13.062","0.002","90","","91.973","0.017","90","","1393.9","0.4","130","","230","0.2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","","- C16 H40 Cl6 N2 Pd2 -","- C16 H40 Cl6 N2 Pd2 -","- C32 H80 Cl12 N4 Pd4 -","2","0.25","GD1325","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Němec, Ivan","Two phases of bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","Acta Crystallographica Section C","2004","60","9","m426","m430","10.1107/S0108270104016725","","","0.71069","MoKα","","0.085","0.0289","","","0.0606","0.0751","","","","","","1.15","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2020150","14.751","","11.695","","5.106","","90","","90.23","","90","","880.844","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Pb3 Ge Ga10 O20","","- Ga10 Ge O20 Pb3 -","- Ga10 Ge O20 Pb3 -","- Ga20 Ge2 O40 Pb6 -","2","0.25","","Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W.","Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20","Acta Crystallographica C (39,1983-)","1983","39","","921","925","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2020151","15.443","","11.9068","","5.2473","","90","","90.945","","90","","964.725","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba3 Sn Fe10 O20","","- Ba3 Fe10 O20 Sn -","- Ba3 Fe10 O20 Sn -","- Ba6 Fe20 O40 Sn2 -","2","0.25","","Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W.","Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20","Acta Crystallographica C (39,1983-)","1983","39","","921","925","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2020376","23.698","","3.98","","24.466","","90","","93.9","","90","","2302.24","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Pb4 Sb6 S13","","- Pb4 S13 Sb6 -","- Pb4 S13 Sb6 -","- Pb16 S52 Sb24 -","4","0.5","","Skowron, A.; Brown, I.D.","Refinement of the structure of robinsonite, Pb4 Sb6 S13","Acta Crystallographica C (39,1983-)","1990","46","","527","531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2100570","6.18505","0.00007","6.13219","0.00007","8.65846","0.0001","90","","90.2288","0.0006","90","","328.395","0.007","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Ba Bi O3 -","- Ba Bi O3 -","- Ba4 Bi4 O12 -","4","0.5","WS5040","Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi","Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~","Acta Crystallographica Section B","2006","62","4","537","546","10.1107/S0108768106018842","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100573","6.06777","0.00012","6.01862","0.00011","8.50818","0.00016","90","","90.2161","0.001","90","","310.713","0.01","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Ba2 Bi O6 Sb -","- Ba2 Bi O6 Sb -","- Ba4 Bi2 O12 Sb2 -","2","0.25","WS5040","Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi","Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~","Acta Crystallographica Section B","2006","62","4","537","546","10.1107/S0108768106018842","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102519","11.78","0.002","9.734","0.002","8.401","0.002","90","","104.05","0.02","90","","934.5","0.3","0","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","bis(Pyridine)-tetra-aqua-iron(ii) diacetate","","- C14 H24 Fe N2 O8 -","- C14 H24 Fe N2 O8 -","- C28 H48 Fe2 N4 O16 -","2","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","199471","2020-10-21","18:00:00",""
"2103798","11.361","0.006","8.303","0.005","8.987","0.005","90","","95.25","0.05","90","","844.2","0.8","293","2","293","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","bis(mu!2$-Ethane-1,2-dithiolato-S,S,S',S')-bis(ethene-1,2-dithiolato)- -technetium(iv)","","- C8 H12 S8 Tc2 -","- C8 H12 S8 Tc2 -","- C16 H24 S16 Tc4 -","2","0.25","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.7107","MoKα","","0.0116","0.0102","","","0.0336","0.0647","","","","","","0.423","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104994","12.37","0.002","12.57","0.002","8.114","0.0001","90","","101.48","0.02","90","","1236.4","0.3","294","2","294","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.25","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0689","0.0492","","","0.1207","0.1313","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105020","12.37","0.002","12.57","0.002","8.114","0.001","90","","101.48","0.02","90","","1236.4","0.3","295","2","295","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O18.5 -","- C20 H72 N4 Ni2 O37 -","2","0.25","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0888","0.0575","","","0.1472","0.1633","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105021","12.379","0.002","12.558","0.002","8.12","0.001","90","","101.68","0.02","90","","1236.2","0.3","303","2","303","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O18.5 -","- C20 H72 N4 Ni2 O37 -","2","0.25","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0703","0.0501","","","0.133","0.1444","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105964","9.978","0.001","7.295","0.001","6.292","0.001","90","","107.07","0.03","90","","437.82","0.12","","","328","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C2 H2 Ca O5 -","- C2 H2 Ca O5 -","- C8 H8 Ca4 O20 -","4","0.5","","Deganello, S","The Structure of Whewellite, CaC~2~O~4~ . H~2~O, at 328 K","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1981","37","4","826","829","10.1107/s056774088100441x","","x-ray","0.71069","MoKα","","","0.047","","","0.055","","","","","","","","","","","has coordinates","200777","2020-10-21","18:00:00",""
"2106074","9.326","","10.925","","9.276","","90","","106.5","","90","","906.18","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ag3 (P3 O9) (H2 O)","","- Ag3 H2 O10 P3 -","- Ag3 O10 P3 -","- Ag12 O40 P12 -","4","0.5","","Baur, W.H.; Tillmanns, E.","How to avoid unneccessarily low symmetry in crystal structure determinations","Acta Crystallographica B (39,1983-)","1986","42","","95","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106452","6.1736","","6.1237","","8.6507","","90","","90.29","","90","","327.038","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Ba2 Bi2 O6 -","- Ba2 Bi2 O6 -","- Ba4 Bi4 O12 -","2","0.25","","Thornton, G.; Jacobson, A.J.","A neutron diffraction determination of the structures of Ba2 Sb(V) Bi(III) O6 and Ba2 Bi(V) Bi(III) O6","Acta Crystallographica B (24,1968-38,1982)","1978","34","","351","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106560","10.6914","","3.7963","","3.3457","","90","","92.625","","90","","135.652","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba0.159 Bi0.841 Ti O2.5","","- Ba0.159 Bi0.841 O2.5 Ti -","- Ba0.1592 Bi0.8408 O2.5 Ti -","- Ba0.6368 Bi3.3632 O10 Ti4 -","4","0.5","","Michiue, Y.; Yamamoto, A.; Onoda, M.; Yamane, H.; Akashi, T.; Sato, A.; Goto, T.","Incommensurate crystallographic shear structure of Ba(x) Bi(2-2x) Ti(4-x) O(11-4x) (x = 0.275)","Acta Crystallographica B (39,1983-)","2005","61","","145","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107011","24.31","","3.915","","23.49","","90","","94.05","","90","","2230.05","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Sn4 Sb6 S13","","- S13 Sb6 Sn4 -","- S13 Sb6 Sn4 -","- S52 Sb24 Sn16 -","4","0.5","","Jumas, J.C.; Olivier-Fourcade, J.; Philippot, E.; Maurin, M.","Sur le systeme Sn S - Sb2 S3: Etude structurale de Sn4 Sb6 S13","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2940","2945","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2107129","10.118","","15.187","","6.626","","90","","100.4","","90","","1001.44","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","Ca7 (Si6 O18) (C O3) (H2 O)2","","- C H4 Ca7 O23 Si6 -","- C Ca7 O23 Si6 -","- C2 Ca14 O46 Si12 -","2","0.25","","Pluth, J.J.; Smith, J.V.","The crystal structure of scawtite, Ca7 Si6 O18 C O3 (H2 O)2","Acta Crystallographica B (24,1968-38,1982)","1973","29","","73","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2107130","10.026","","2.8782","","9.729","","90","","91.03","","90","","280.703","","","","","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","(Ba.68 Pb.30) (Mn.8125 Fe.1625 Al.025)8 O16 (H2 O).5","","- Al0.2 Ba0.68 Fe1.3 H Mn6.5 O16.5 Pb0.3 -","- Al0.2 Ba0.68 Fe1.3 Mn6.5 O16.5 Pb0.3 -","- Al0.2 Ba0.68 Fe1.3 Mn6.5 O16.5 Pb0.3 -","1","0.125","","Post, J.E.; Buseck, P.R.; von Dreele, R.B.","Symmetry and Cation Displacements in Hollandites: Structure Refinements of Hollandite, Cryptomelane and Priderite","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1056","1065","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2107227","10.1816","","2.9733","","10.0268","","90","","90.489","","90","","303.53","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba1.14 (Mg1.14 Ti6.86) O16","","- Ba1.14 Mg1.14 O16 Ti6.86 -","- Ba1.14 Mg1.14 O16 Ti6.86 -","- Ba1.14 Mg1.14 O16 Ti6.86 -","1","0.125","","Cheary, R.W.; Squadrito, R.","A structural analysis of barium magnesium hollandites","Acta Crystallographica B (39,1983-)","1989","45","","205","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2107229","10.2609","","2.98052","","9.9212","","90","","91.072","","90","","303.365","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba1.33 (Mg1.33 Ti6.67) O16","","- Ba1.33 Mg1.33 O16 Ti6.67 -","- Ba1.33 Mg1.3304 O16 Ti6.6704 -","- Ba1.33 Mg1.3304 O16 Ti6.6704 -","1","0.125","","Cheary, R.W.; Squadrito, R.","A structural analysis of barium magnesium hollandites","Acta Crystallographica B (39,1983-)","1989","45","","205","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2206238","11.46","0.02","13.094","0.005","13.563","0.009","90","","114.22","0.05","90","","1856","4","295","2","295","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Benzylammonium 2,4-bis(dicyanomethylene)-2,3-dihydroisoindolide","","- C21 H14 N6 -","- C21 H14 N6 -","- C84 H56 N24 -","4","0.5","LH6446","Conway, Shane P.; Pratt, Albert C.; Long, Conor; Howie, R. Alan","Benzylammonium 2,4-bis(dicyanomethylene)-2,3-dihydroisoindolide","Acta Crystallographica Section E","2005","61","7","o2258","o2260","10.1107/S1600536805018866","","","0.71073","MoKα","","0.1029","0.0512","","","0.1145","0.127","","","","","","0.985","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2206809","8.725","0.002","7.932","0.001","11.969","0.004","90","","99.53","0.02","90","","816.9","0.3","295","","295","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Dirubidium diiodoaurate(I) tetraiodoaurate(III)","","- Au2 I6 Rb2 -","- Au2 I6 Rb2 -","- Au4 I12 Rb4 -","2","0.25","WM6086","Matsushita, Nobuyuki; Tanaka, Atsushi; Kojima, Norimichi","A three-dimensional iodo-bridged mixed-valence gold(I,III) compound, Rb~2~[Au^I^I~2~][Au^III^I~4~]","Acta Crystallographica Section E","2005","61","9","i201","i203","10.1107/S1600536805025432","","","0.71069","MoKα","","","0.0661","","","","0.0971","","","","","","1.7201","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2212533","6.718","0.001","11.754","0.002","8.015","0.002","90","","90.649","0.003","90","","632.9","0.2","298","2","298","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","4,4'-Bipyridinium tetrachloridopalladate(II)","","- C10 H10 Cl4 N2 Pd -","- C10 H10 Cl4 N2 Pd -","- C20 H20 Cl8 N4 Pd2 -","2","0.25","DN2131","Valdés-Martínez, Jesús; Toscano, Rubén A.; Germán-Acacio, Juan Manuel","4,4'-Bipyridinium tetrachloridopalladate(II)","Acta Crystallographica Section E","2007","63","3","m870","m871","10.1107/S1600536807008483","","","0.71073","MoKα","","0.0242","0.0232","","","0.0575","0.0579","","","","","","1.1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2240371","13.2434","0.0007","9.6402","0.0005","17.7628","0.0013","90","","98.626","0.002","90","","2242.1","0.2","292","2","292","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","Bis(tetramethylammonium) decaaquadi-μ~4~oxido-tetra-μ~3~-oxido-hexadeca-μ~2~-oxido-hexaoxidodimanganesedecavanadate pentahydrate","","- C8 H54 Mn2 N2 O43 V10 -","- C8 H48 Mn2 N2 O43 V10 -","- C16 H96 Mn4 N4 O86 V20 -","2","0.25","HB7337","Franco, Maurício P.; Rüdiger, André Luis; Soares, Jaísa F.; Nunes, Giovana G.; Hughes, David L.","Crystal structures of two decavanadates(V) with pentaaquamanganese(II) pendant groups: (NMe~4~)~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·5H~2~O and [NH~3~C(CH~2~OH)~3~]~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·2H~2~O","Acta Crystallographica Section E","2015","71","2","146","150","10.1107/S2056989014028230","","","0.71073","MoKα","","0.0222","0.02","","","0.0581","0.0597","","","","","","1.093","","","","has coordinates,has disorder","209173","2020-10-21","18:00:00",""
"2310453","6.9093","","6.8858","","8.8298","","90","","92.246","","90","","419.764","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cl2 (H2 O)2","","- Cl2 H4 Ni O2 -","- Cl2 Ni O2 -","- Cl8 Ni4 O8 -","4","0.5","","Morosin, B.","An X-ray diffraction study on nickel(II) chloride dihydrate","Acta Crystallographica (1,1948-23,1967)","1967","23","","630","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310780","3.93492","0.00013","3.93193","0.0001","4.00171","0.00014","90","","92.603","0.003","90","","61.85","0.003","900","","900","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Bi0.097 Fe1.049 O2.585 Pb0.856 -","- Bi0.0974 Fe1.0493 O2.5854 Pb0.85564 -","- Bi0.0974 Fe1.0493 O2.5854 Pb0.85564 -","1","0.125","DQ5010","Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke","Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","2","127","143","10.1107/S2052520615005466","powder diffraction","neutron","1.8857","","","0.0396","0.0386","","0.05","0.0499","","","","2.51","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2310781","3.92822","0.00013","3.92661","0.0001","4.05202","0.00014","90","","92.209","0.003","90","","62.454","0.003","900","","900","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Bi0.195 Fe1.046 O2.633 Pb0.763 -","- Bi0.1948 Fe1.04646 O2.63256 Pb0.76282 -","- Bi0.1948 Fe1.04646 O2.63256 Pb0.76282 -","1","0.125","DQ5010","Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke","Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","2","127","143","10.1107/S2052520615005466","powder diffraction","neutron","1.8857","","","0.0406","0.04","","0.0555","0.0554","","","","2.38","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2310782","3.92131","0.00011","3.91951","0.00009","4.09255","0.00013","90","","91.913","0.002","90","","62.866","0.003","900","","900","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Bi0.292 Fe1.042 O2.675 Pb0.671 -","- Bi0.292 Fe1.0416 O2.6753 Pb0.67088 -","- Bi0.292 Fe1.0416 O2.6753 Pb0.67088 -","1","0.125","DQ5010","Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke","Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","2","127","143","10.1107/S2052520615005466","powder diffraction","neutron","1.8857","","","0.0498","0.0492","","0.0636","0.0636","","","","2.41","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2310783","3.9146","0.00013","3.91271","0.0001","4.13775","0.00016","90","","91.554","0.003","90","","63.353","0.004","900","","900","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Bi0.428 Fe1.034 O2.736 Pb0.541 -","- Bi0.4284 Fe1.03352 O2.73568 Pb0.54124 -","- Bi0.4284 Fe1.03352 O2.73568 Pb0.54124 -","1","0.125","DQ5010","Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke","Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","2","127","143","10.1107/S2052520615005466","powder diffraction","neutron","1.8857","","","0.0528","0.0521","","0.0582","0.0581","","","","2.06","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2310784","3.90908","0.00015","3.90585","0.00012","4.16564","0.00017","90","","91.318","0.003","90","","63.585","0.004","900","","900","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Bi0.545 Fe1.027 O2.783 Pb0.428 -","- Bi0.5452 Fe1.02668 O2.7832 Pb0.42826 -","- Bi0.5452 Fe1.02668 O2.7832 Pb0.42826 -","1","0.125","DQ5010","Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke","Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","2","127","143","10.1107/S2052520615005466","powder diffraction","neutron","1.8857","","","0.0578","0.0555","","0.0713","0.0712","","","","2.44","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2310849","9.89","","17.95","","5.31","","90","","72.5","","90","","899.031","","","","","","","","","","","","","9","I 1 2/m 1","-I 2y","12","","(Na1.38 K0.13 Ca0.17 Mg0.25) (Mg2.81 Fe1.66 Fe0.48 Al0.05) (Si7.94 Al0.06) O22 (O H)2","","- Al0.11 Ca0.17 Fe2.14 H2 K0.13 Mg3.06 Na1.38 O24 Si7.94 -","- Al0.096 Ca0.17 Fe2.14 K0.13 Mg3.07 Na1.38 O24 Si7.944 -","- Al0.192 Ca0.34 Fe4.28 K0.26 Mg6.14 Na2.76 O48 Si15.888 -","2","0.25","","Whittaker, E. J. W.","The structure of bolivian crocidolite","Acta Crystallographica","1949","2","5","312","317","10.1107/s0365110x49000801","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2312335","12.8036","0.0006","14.9042","0.0008","5.9782","0.0003","90","","90.002","0.002","90","","1140.8","0.1","300","","300","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- Fe H6 K3 O12 Te2 -","- Fe H4 K3 O12 Te2 -","- Fe4 H16 K12 O48 Te8 -","4","0.5","YV5013","Wolflehner, Tobias; Stöger, Berthold","Order-disorder (OD) polytypism of K<sub>3</sub>FeTe<sub>2</sub>O<sub>8</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>1+x</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","510","518","10.1107/S2052520623009162","","","0.71073","MoKα","","0.0259","0.0204","","","0.0431","0.0446","","","","","","1.012","","","","has coordinates,has Fobs","288123","2023-12-07","11:46:07",""
"2312336","12.766","0.0006","14.947","0.0006","5.9706","0.0002","90","","90.047","0.003","90","","1139.27","0.08","432","","432","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- Fe H4.86 K3 O11.43 Te2 -","- Fe H4 K3 O11.43 Te2 -","- Fe4 H16 K12 O45.72 Te8 -","4","0.5","","Wolflehner, Tobias; Stöger, Berthold","Order-disorder (OD) polytypism of K<sub>3</sub>FeTe<sub>2</sub>O<sub>8</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>1+x</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","510","518","10.1107/S2052520623009162","","x-ray","0.71073","MoKα","","0.0466","0.037","","","0.0907","0.1011","","","","","","1.026","","","","has coordinates,has Fobs","288123","2023-12-07","11:46:07",""
"3000534","18.2741","0.0004","13.7711","0.0004","11.9077","0.0004","90","","102.754","0.002","90","","2922.69","0.15","373","2","373","2","","","","","","","","4","I 1 2/m 1","-I 2y","","Na-CHA","","","- Al8 Na7.62 O51.45 Si16 -","","","","","","Georgia Cametti","","To be published","","","","","","","","","0.71073","MoKα","","0.0703","0.0598","","","0.1742","0.1797","","","","","","1.073","","","","","292090","2024-05-29","06:21:56","2024-11-29"
"3000535","18.2506","0.0003","13.8793","0.0002","11.8929","0.0004","90","","102.995","0.003","90","","2935.39","0.12","473","2","473","2","","","","","","","","4","I 1 2/m 1","-I 2y","","","","","- Al16 Na16.07 O96 Si32 -","","","","","","Georgia Cametti","","To be published","","","","","","","","","0.71073","MoKα","","0.0537","0.0412","","","0.1164","0.1222","","","","","","1.058","","","","","292091","2024-05-29","06:24:06","2024-11-29"
"3000536","18.2789","0.0006","13.8795","0.0003","11.9023","0.0003","90","","102.89","0.003","90","","2943.54","0.14","573","2","573","2","","","","","","","","4","I 1 2/m 1","-I 2y","","Na-CHA","","","- Al8 Na7.93 O48 Si16 -","","","","","","Georgia Cametti","","To be published","","","","","","","","","0.71073","MoKα","","0.0558","0.0427","","","0.1223","0.1277","","","","","","1.054","","","","","292092","2024-05-29","06:26:05","2025-03-29"
"3500059","4.9466","0.001","4.9481","0.001","6.1943","0.001","90","","92.8096","0.001","90","","151.43","0.05","293","2","293","2","","","","","","","Synthesis as in J. Alloys and Compounds 216 (1994) 11-19","3","I 1 2/m 1","-I 2y","12","N-PdSO4","","","- O4 Pd S -","- O13 Pd S2 -","- O26 Pd2 S4 -","2","0.25","","Yvon Laligant; Armel Le Bail","Approaching the crystal structure of N-PdSO4 in the monoclinic subcell a/2, b/2, c/2 (see J. Alloys and Compounds 216, 1994, 11-19)","Personal communication to COD","2016","","","","","","","","0.71069","MoKα","","0.0739","0.0665","","","0.1696","0.1891","","","","","","1.273","","","","has coordinates,has disorder,has Fobs","288183","2023-12-08","14:42:53",""
"4001088","9.0476","0.0012","15.897","0.002","10.823","0.0015","90","","92.327","0.002","90","","1555.4","0.4","168","2","168","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","TAF16-PYR","","","- C20 H24 F16 N4 O4 Ta4 -","- C10 H12 F16 N2 O4 Ta4 -","- C20 H24 F32 N4 O8 Ta8 -","2","0.25","","Alam, Todd M.; Clawson, Jacalyn S.; Bonhomme, François; Thoma, Steven G.; Rodriguez, Mark A.; Zheng, Shaohui; Autschbach, Jochen","A Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters","Chemistry of Materials","2008","20","6","2205","","10.1021/cm0717763","","","0.71073","MoKα","","0.0398","0.0386","","","0.0897","0.0902","","","","","","1.24","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001089","9.257","0.004","15.918","0.006","10.923","0.004","90","","92.915","0.007","90","","1607.5","1.1","298","2","298","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","TAF16-PYR - RT","","","- C20 H24 F16 N4 O4 Ta4 -","- C10 H12 F16 N2 O4 Ta4 -","- C20 H24 F32 N4 O8 Ta8 -","2","0.25","","Alam, Todd M.; Clawson, Jacalyn S.; Bonhomme, François; Thoma, Steven G.; Rodriguez, Mark A.; Zheng, Shaohui; Autschbach, Jochen","A Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters","Chemistry of Materials","2008","20","6","2205","","10.1021/cm0717763","","","0.71073","MoKα","","0.0311","0.026","","","0.0631","0.0647","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002270","5.848","","3.34142","","11.0596","","90","","91.907","","90","","215.992","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr V S4","","- Cr Ni S4 V -","- Cr0.999 Ni1.001 S4 V -","- Cr1.998 Ni2.002 S8 V2 -","2","0.25","","Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002271","5.8447","","3.3272","","11.0749","","90","","91.971","","90","","215.24","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr0.8 V1.2 S4","","- Cr0.8 Ni S4 V1.2 -","- Cr0.801 Ni0.999 S4 V1.2 -","- Cr1.602 Ni1.998 S8 V2.4 -","2","0.25","","Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002272","5.8391","","3.31464","","11.065","","90","","92.123","","90","","214.011","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr0.6 V1.4 S4","","- Cr0.6 Ni S4 V1.4 -","- Cr0.6 Ni S4 V1.4 -","- Cr1.2 Ni2 S8 V2.8 -","2","0.25","","Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002273","5.8376","","3.28741","","11.06386","","90","","92.267","","90","","212.156","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr0.2 V1.8 S4","","- Cr0.2 Ni S4 V1.8 -","- Cr0.201 Ni0.999 S4 V1.8 -","- Cr0.402 Ni1.998 S8 V3.6 -","2","0.25","","Vaqueiro, P.; Powell, A.V.; Bold, M.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002274","5.8411","","3.3969","","11.011","","90","","91.642","","90","","218.387","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr1.9 V0.1 S4","","- Cr1.9 Ni S4 V0.1 -","- Cr1.899 Ni1.001 S4 V0.1 -","- Cr3.798 Ni2.002 S8 V0.2 -","2","0.25","","Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002275","5.8422","","3.3836","","11.026","","90","","91.654","","90","","217.867","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr1.7 V0.3 S4","","- Cr1.7 Ni S4 V0.3 -","- Cr1.701 Ni0.999 S4 V0.3 -","- Cr3.402 Ni1.998 S8 V0.6 -","2","0.25","","Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002276","5.8285","","3.3701","","11.004","","90","","91.689","","90","","216.054","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr1.6 V0.4 S4","","- Cr1.6 Ni S4 V0.4 -","- Cr1.6 Ni S4 V0.4 -","- Cr3.2 Ni2 S8 V0.8 -","2","0.25","","Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002277","5.825","","3.365","","10.999","","90","","91.803","","90","","215.486","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr1.5 V0.5 S4","","- Cr1.5 Ni S4 V0.5 -","- Cr1.499 Ni1.001 S4 V0.5 -","- Cr2.998 Ni2.002 S8 V -","2","0.25","","Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002280","5.9449","","3.3834","","11.2263","","90","","91.573","","90","","225.72","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(V0.239 Cr0.261) (V0.285 Cr0.715) S2","","- Cr0.976 S2 V0.524 -","- Cr0.9765 S2 V0.5235 -","- Cr3.906 S8 V2.094 -","4","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002281","5.9461","","3.3773","","11.2353","","90","","91.68","","90","","225.528","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(V0.252 Cr0.267) (V0.326 Cr0.674) S2","","- Cr0.941 S2 V0.578 -","- Cr0.941 S2 V0.578 -","- Cr3.764 S8 V2.312 -","4","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002282","5.9536","","3.3942","","11.331","","90","","91.31","","90","","228.914","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(V0.256 Cr0.313) (V0.35 Cr0.65) S2","","- Cr0.963 S2 V0.606 -","- Cr0.963 S2 V0.606 -","- Cr3.852 S8 V2.424 -","4","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002283","5.9574","","3.4009","","11.3825","","90","","91.127","","90","","230.571","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(V0.258 Cr0.350) (V0.369 Cr0.631) S2","","- Cr0.981 S2 V0.627 -","- Cr0.981 S2 V0.6275 -","- Cr3.924 S8 V2.51 -","4","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002284","5.9562","","3.40467","","11.412","","90","","90.995","","90","","231.388","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(V0.283 Cr0.356) (V0.388 Cr0.612) S2","","- Cr0.968 S2 V0.671 -","- Cr0.968 S2 V0.6715 -","- Cr3.872 S8 V2.686 -","4","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002285","5.9511","","3.4163","","11.4716","","90","","90.62","","90","","233.212","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(V0.305 Cr0.399) (V0.43 Cr0.57) S2","","- Cr0.969 S2 V0.735 -","- Cr0.969 S2 V0.7355 -","- Cr3.876 S8 V2.942 -","4","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002288","5.8653","","3.3712","","11.061","","90","","91.68","","90","","218.616","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr1.4 V0.6 S4","","- Cr1.4 Ni S4 V0.6 -","- Cr1.4 Ni S4 V0.6 -","- Cr2.8 Ni2 S8 V1.2 -","2","0.25","","Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002289","5.8517","","3.35413","","11.0542","","90","","91.834","","90","","216.854","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr1.2 V0.8 S4","","- Cr1.2 Ni S4 V0.8 -","- Cr1.201 Ni0.999 S4 V0.8 -","- Cr2.402 Ni1.998 S8 V1.6 -","2","0.25","","Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002590","3.15603","0.00009","2.85523","0.0001","4.7799","0.0002","90","","91.4521","","90","","43.059","0.003","293","","293","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Mn Na O2 -","- Mn Na O -","- Mn2 Na2 O2 -","2","0.25","","Abakumov, Artem M.; Tsirlin, Alexander A.; Bakaimi, Ioanna; Van Tendeloo, Gustaaf; Lappas, Alexandros","Multiple Twinning As a Structure Directing Mechanism in Layered Rock-Salt-Type Oxides: NaMnO2Polymorphism, Redox Potentials, and Magnetism","Chemistry of Materials","2014","","","140509152558002","","10.1021/cm5011696","powder diffraction","neutron","2.0787","","","0.0228","0.0214","","0.0222","0.0221","","","","1.38","","","","","","","has coordinates","288070","2023-12-06","12:50:31",""
"4030429","9.3805","0.002","13.561","0.001","17.799","0.002","90","","90.065","0.014","90","","2264.2","0.6","","","293","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C24 H72 Cu4 N4 Si8 -","- C24 Cu4 N4 Si8 -","- C48 Cu8 N8 Si16 -","2","0.25","","Miele, P.; Foulon, J.D.; Hovnanian, N.; Durand, J.; Cot, L.","Synthesis and crystal structure of a volatile molecular precursor of copper: [CuN(SiMe3)2]4","European Journal of Solid State and Inorganic Chemistry","1992","29","","573","583","","","x-ray","0.71069","MoKα","","","0.049","","","0.067","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030511","6.0356","0.0004","6.048","0.0004","8.5556","0.0006","90","","90.314","0.004","90","","312.3","0.04","","","293","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Ba2 Bi1.33 O6 Ru0.67 -","- Ba2 Bi1.333 O6 Ru0.667 -","- Ba4 Bi2.666 O12 Ru1.334 -","2","0.25","","Darriet, J.; Bontchev, R.; Dussarrat, C.; Weill, F.; Darriet, B.","The system BaRuO3-BaBiO3. I. Crystal structures of BaRu2BiO9 and Ba2RuxBi2-xO6 (0<x<=0.67)","European Journal of Solid State and Inorganic Chemistry","1993","30","","273","286","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0368","","","","","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030844","9.895","0.002","10.488","0.002","7.856","0.001","90","","90.73","0.01","90","","815.2","0.2","","","293","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- F12 Th Zr2 -","- F12 Th Zr2 -","- F48 Th4 Zr8 -","4","0.5","","Taoudi, A.; Mikou, A.; Laval, J. P.","Synthesis ans characterization of two new ordered crystallines phases close to ThF4-ZrF4 fluoride glasses. II: Crystal structure of ThZr2F12","European Journal of Solid State and Inorganic Chemistry","1996","33","","1051","1062","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","0.039","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4037086","9.1684","0.0013","7.1253","0.0011","22.658","0.004","90","","92.64","0.003","90","","1478.6","0.4","100","2","100","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C16 H17 Br O4 -","- C16 H17 Br O4 -","- C64 H68 Br4 O16 -","4","0.5","","Geibel, Irina; Dierks, Anna; Schmidtmann, Marc; Christoffers, Jens","Formation of δ-Lactones by Cerium-Catalyzed, Baeyer-Villiger-Type Coupling of β-Oxoesters, Enol Acetates, and Dioxygen.","The Journal of organic chemistry","2016","81","17","7790","7798","10.1021/acs.joc.6b01441","","","0.71073","MoKα","","0.0608","0.0469","","","0.1029","0.1083","","","","","","1.118","","","","has coordinates,has disorder","235650","2020-10-21","18:00:00",""
"4037919","5.6345","0.0004","6.4841","0.0005","25.9775","0.0017","90","","95.661","0.007","90","","944.45","0.12","150","0.1","150","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","0.5","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","0.71073","MoKα","","0.0445","0.0394","","","0.1005","0.1044","","","","","","1.06","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4064287","7.8457","0.0002","15.1119","0.0004","19.1215","0.0004","90","","91.798","0.002","90","","2265.99","0.1","200","2","200","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C43 H47 O10 Pd2 Te4 -","- C43 H47 O10 Pd2 Te4 -","- C86 H94 O20 Pd4 Te8 -","2","0.25","","Chakraborty, Tapash; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","Reactions of Di-o-tolyl Telluride and Selenide with Palladium Acetate: Isolation of a Novel Palladium Complex of a Tellurenic Acid Anhydride and Related Trinuclear and Tetranuclear Palladium Complexes","Organometallics","2011","30","9","2525","","10.1021/om2000184","","","0.71073","MoKα","","0.0294","0.0214","","","0.048","0.05","","","","","","1.028","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4065657","11.963","0.002","20.35","0.003","12.583","0.002","90","","99.002","0.002","90","","3025.6","0.8","90","2","90","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C66 H92 Fe2 N2 -","- C66 H92 Fe2 N2 -","- C132 H184 Fe4 N4 -","2","0.25","","Ni, Chengbao; Lei, Hao; Power, Philip P.","Reaction of M(II) Diaryls (M = Mn or Fe) with Ammonia to Afford Parent Amido Complexes","Organometallics","2010","29","8","1988","","10.1021/om1000502","","","0.71073","MoKα","","0.0545","0.0434","","","0.1158","0.124","","","","","","1.087","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4073304","16.0954","0.0015","15.2954","0.0015","11.3501","0.0011","90","","101.249","0.0013","90","","2740.6","0.5","193","2","193","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C20 H46 B4 Hg N4 -","- C20 H46.5 B4 Hg N4 -","- C80 H186 B16 Hg4 N16 -","4","0.5","","Ly, Hanh V.; Forster, Taryn D.; Parvez, Masood; McDonald, Robert; Roesler, Roland","Zinc, Cadmium, and Mercury Metallocenes Incorporating 1,2-Diaza-3,5-diborolyl Ligands","Organometallics","2007","26","14","3516","","10.1021/om070230n","","","0.71073","MoKα","","0.0216","0.0196","","","0.0487","0.0499","","","","","","1.082","","","","has coordinates,has disorder","178622","2020-10-21","18:00:00",""
"4088849","11.982","0.004","23.133","0.008","17.482","0.009","90","","94.631","0.004","90","","4830","3","123","2","123","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C47 H46 Ag B Cl8 F4 N2 -","- C47 H46 Ag B Cl8 F4 N2 -","- C188 H184 Ag4 B4 Cl32 F16 N8 -","4","0.5","","Klimovica, Kristine; Kirschbaum, Kristin; Daugulis, Olafs","Synthesis and Properties of ""Sandwich"" Diimine-Coinage Metal Ethylene Complexes.","Organometallics","2016","35","17","2938","2943","10.1021/acs.organomet.6b00487","","","0.71073","MoKα","","0.0613","0.0489","","","0.1243","0.1344","","","","","","1.046","","","","has coordinates,has disorder","237854","2020-10-21","18:00:00",""
"4115385","17.2391","0.0007","23.4906","0.001","17.303","0.0012","90","","90.305","0.002","90","","7006.9","0.6","130","2","130","2","","","","","","","synthetic","5","I 1 2/m 1","-I 2y","12","","","","- C84 H210 Cu26 P14 Se13 -","- C84 H210 Cu26 P14 Se13 -","- C168 H420 Cu52 P28 Se26 -","2","0.25","","Nathan R. M. Crawford; Allan G. Hee; Jeffrey R. Long","Cluster Synthesis via Ligand-Arrested Solid Growth: Triethylphosphine-Capped Fragments of Binary Metal Chalcogenides","Journal of the American Chemical Society","2002","124","","14842","14843","10.1021/ja027862f","","","0.71073","MoKα","","0.1757","0.0925","","0.2745","0.2391","","","","1.078","1.37","1.37","","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115569","18.6794","0.0013","13.5313","0.001","7.6028","0.0006","90","","102.196","0.003","90","","1878.3","0.2","30","2","30","2","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.125","","Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris","Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR","Journal of the American Chemical Society","2001","123","","5453","5459","10.1021/ja015797o","","","0.6942","","","0.1277","0.0752","","","0.1631","0.1864","","","","","","1.035","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115570","18.6504","0.0013","13.4868","0.001","7.6257","0.0006","90","","101.99","0.003","90","","1876.3","0.2","240","2","240","2","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.125","","Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris","Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR","Journal of the American Chemical Society","2001","123","","5453","5459","10.1021/ja015797o","","","0.6944","","","0.0701","0.0578","","","0.128","0.1296","","","","","","2.107","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115571","18.6277","0.0013","13.4777","0.001","7.6305","0.0006","90","","101.927","0.003","90","","1874.3","0.2","340","2","340","2","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.125","","Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris","Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR","Journal of the American Chemical Society","2001","123","","5453","5459","10.1021/ja015797o","","","0.6944","","","0.067","0.0472","","","0.1139","0.1183","","","","","","1.236","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4116100","13.43","0.003","18.333","0.004","17.118","0.003","90","","94.86","0.03","90","","4199.5","1.5","203","2","200","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C76 H110 Al14 Cl Si -","- C76 H110.12 Al14 Cl Si -","- C152 H220.24 Al28 Cl2 Si2 -","2","0.25","","Andreas Purath; Carsten Dohmeier; Achim Ecker; Ralf Köppe; Harald Krautscheid; Hansgeorg Schnöckel; Reinhart Ahlrichs; Carsten Stoermer; Jochen Friedrich; Peter Jutzi","Synthesis and Structure of a Neutral SiAl14 Cluster","Journal of the American Chemical Society","2000","122","","6955","6959","10.1021/ja991890p","","","0.71073","MoKa=20","","0.098","0.0654","","0.1721","0.156","","","","0.985","1.108","1.108","","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4117376","10.42128","0.00027","14.8998","0.0004","17.5897","0.0005","90","","105.807","0.0013","90","","2627.96","0.12","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C5 F N2 O24 Si12 -","- C4.769 F N2 O24 Si12 -","- C19.076 F4 N8 O96 Si48 -","4","0.5","","Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor","Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations","Journal of the American Chemical Society","2012","134","","2255","2263","10.1021/ja209832y","powder diffraction","","","","","","","","","","","","","1.57","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117377","10.43748","0.00009","14.80768","0.00015","17.50255","0.00018","90","","106.09","0.0007","90","","2599.15","0.04","295","","","","","","","","","","synthetic","5","I 1 2/m 1","-I 2y","12","","","","- C6 F N2 O24 Si12 -","- C6 F N2 O24 Si12 -","- C24 F4 N8 O96 Si48 -","4","0.5","","Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor","Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations","Journal of the American Chemical Society","2012","134","","2255","2263","10.1021/ja209832y","powder diffraction","","","","","","","","","","","","","2.06","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117378","10.32658","0.0001","14.9994","0.00013","17.71021","0.00019","90","","105.396","0.0007","90","","2644.74","0.05","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O2 Si -","- O2 Si -","- O96 Si48 -","48","6","","Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor","Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations","Journal of the American Chemical Society","2012","134","","2255","2263","10.1021/ja209832y","powder diffraction","","","","","","","","","","","","","1.83","","","","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4123551","10.013","0.002","21.303","0.004","10.071","0.002","90","","103.21","0.03","90","","2091.4","0.8","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C18 H48 N18 O18 S6 -","- C18 H48 N18 O18 S6 -","- C36 H96 N36 O36 S12 -","2","0.25","","Liu, Yuzhou; Xiao, Wenchang; Yi, Jin Ju; Hu, Chunhua; Park, Sang-Jae; Ward, Michael D.","Regulating the Architectures of Hydrogen-Bonded Frameworks through Topological Enforcement.","Journal of the American Chemical Society","2015","137","9","3386","3392","10.1021/jacs.5b00534","","","0.71073","MoKα","","0.1552","0.0724","","","0.1579","0.1814","","","","","","1.005","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4125252","11.9516","0.0005","18.2934","0.0007","15.7645","0.0006","90","","99.934","0.004","90","","3395","0.2","173","2","173","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C72 H112 F2 Mg2 N4 O2 -","- C71 H112 F2 Mg2 N4 O2 -","- C142 H224 F4 Mg4 N8 O4 -","2","0.25","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","0.71073","MoKα","","0.0659","0.0467","","","0.1066","0.1171","","","","","","1.033","","","","has coordinates,has disorder","209173","2020-10-21","18:00:00",""
"4126753","8.7596","0.0003","13.2087","0.0004","9.6956","0.0003","90","","89.764","0.003","90","","1121.8","0.06","298.3","1","298.3","1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","Guanidinium manganese hypophosphite","","- C0.5 H6 Mn0.5 N1.5 O3 P1.5 -","- C0.5 H6 Mn0.5 N1.5 O3 P1.5 -","- C4 H48 Mn4 N12 O24 P12 -","8","1","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0352","0.0303","","","0.0757","0.079","","","","","","1.061","","","","has coordinates","203365","2020-10-21","18:00:00",""
"4130430","11.655","0.0002","26.4005","0.0006","28.4632","0.0005","90","","91.2677","0.0015","90","","8755.9","0.3","110","2","110","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C76 H61 Cl4 F6 Fe2 N11 O22 -","- C76 H61 Cl4.0008 F6 Fe2 N11 O21.8862 -","- C304 H244 Cl16.0032 F24 Fe8 N44 O87.5448 -","4","0.5","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.0679","0.0576","","","0.1669","0.1771","","","","","","1.033","","","","has coordinates,has disorder","240863","2020-10-21","18:00:00",""
"4132050","15.54","0.002","5.0795","0.0006","5.0964","0.0007","90","","96.032","0.011","90","","400.06","0.09","293","","293","","","","","","","","","4","I 1 2/m 1","-I 2y","12","ethylenediamonium iodide","","","- C2 H10 I2 N2 -","- C2 H9 I2 N2 -","- C4 H18 I4 N4 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0518","0.045","","","0.1061","0.1071","","","","3.38","3.38","3.24","","","","has coordinates","242092","2020-10-21","18:00:00",""
"4133018","15.1318","0.0015","9.1148","0.001","4.2826","0.0005","90","","110.435","0.003","90","","553.5","0.1","293","","293","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- C6 Ag5 S6 -","- C6 Ag5 S6 -","- C12 Ag10 S12 -","2","0.25","","Huang, Xing; Li, Haisheng; Tu, Zeyi; Liu, Liyao; Wu, Xiaoyu; Chen, Jie; Liang, Yingying; Zou, Ye; Yi, Yuanping; Sun, Junliang; Xu, Wei; Zhu, Daoben","Highly Conducting Neutral Coordination Polymer with Infinite Two-Dimensional Silver-Sulfur Networks.","Journal of the American Chemical Society","2018","140","45","15153","15156","10.1021/jacs.8b07921","powder diffraction","x-ray","1.54051","CuKα","","0.0597","0.0597","","0.0813","0.0813","","","","5.71","","","","","","","has coordinates","242871","2020-10-21","18:00:00",""
"4133410","25.7743","0.0009","16.3541","0.0005","28.9052","0.001","90","","92.161","0.004","90","","12175.3","0.7","250.2","0.3","250.2","0.3","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C352 H180 Co12 P12 Te16 -","- C349.76 H180 Co12 P12 Te15 -","- C699.52 H360 Co24 P24 Te30 -","2","0.25","","O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier","Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal.","Journal of the American Chemical Society","2018","140","46","15601","15605","10.1021/jacs.8b09905","","x-ray","0.71073","MoKα","","0.0864","0.0496","","","0.126","0.1529","","","","","","1.069","","","","has coordinates,has disorder","243207","2020-10-21","18:00:00",""
"4133695","13.7314","0.0002","32.7897","0.0006","16.3067","0.0003","90","","96.0838","0.0012","90","","7300.7","0.2","90","2","90","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C72 H66 F9 In N6 Na0.5 O6 P1.5 -","- C72 H66 F9 In N6 Na0.5 O6 P1.5 -","- C288 H264 F36 In4 N24 Na2 O24 P6 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0856","0.0732","","","0.2068","0.2192","","","","","","1.091","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4300035","9.368","0.002","16.191","0.003","20.228","0.006","90","","101.26","0.03","90","","3009.1","1.3","293","2","293","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C20 H22 F6 N6 O6 Pd2 S2 -","- C20 H22 F6 N6 O6 Pd2 S2 -","- C80 H88 F24 N24 O24 Pd8 S8 -","4","0.5","","Felipe Gómez-de la Torre; Antonio de la Hoz; Félix A. Jalón; Blanca R. Manzano; Ana M. Rodríguez; José Elguero; Martín Martínez-Ripoll","Pd(II) Complexes with Polydentate Nitrogen Ligands. Molecular Recognition and Dynamic Behavior Involving Pd-N Bond Rupture. X-ray Molecular Structures of [{Pd(C~6~HF~4~)~2~}(bpzm)] and [{PdΜ^3^-(C~4~H~7~)}~2~(bpzm)]CF~3~SO~3~)~2~ [bpzpm = 4,6-Bis(pyrazol-1-yl)pyrimidine]","Inorganic Chemistry","2000","39","","1152","1162","10.1021/ic990495x","","","0.7107","MoKα","","0.0432","0.0361","","0.0945","0.0875","","","","1.199","1.185","1.185","","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00",""
"4300877","14.629","0.002","9.356","0.001","14.465","0.002","90","","91.12","0.02","90","","1979.4","0.4","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C24 H20 N2 O Ru0.5 S -","- C24 H15 N2 O Ru0.5 S -","- C96 H60 N8 O4 Ru2 S4 -","4","0.5","","Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini","Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins","Inorganic Chemistry","2005","44","","2039","2049","10.1021/ic048587w","","","0.71069","MoKα","","0.0359","0.0356","","","0.0936","0.0938","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4301885","11.329","0.0002","13.9776","0.0002","15.11","0.0003","90","","100.278","0.001","90","","2354.31","0.07","180","2","180","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C38.5 H36 Co4 N14 O14.5 -","- C38.5 H34 Co4 N14 O14.5 -","- C77 H68 Co8 N28 O29 -","2","0.25","","Anastasia N. Georgopoulou; Catherine P. Raptopoulou; Vassilis Psycharis; Rafael Ballesteros; Belén Abarca; Athanassios K. Boudalis","Ferromagnetic CuII4, CoII4, and NiII6 Azido Complexes Derived from Metal-Assisted Methanolysis of Di-2,6-(2-pyridylcarbonyl)pyridine","Inorganic Chemistry","2009","48","","3167","3176","10.1021/ic900115c","","","1.54178","CuKα","","0.0477","0.0462","","","0.1216","0.1231","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304401","7.52742","0.00009","11.73765","0.00011","12.86694","0.00014","90","","96.2859","0.0011","90","","1130.01","0.02","183","2","183","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","[TcO3Clbipy]","","","- C10 H8 Cl N2 O3 Tc -","- C10 H8 Cl N2 O3 Tc -","- C40 H32 Cl4 N8 O12 Tc4 -","4","0.5","","Yuji Tooyama; Henrik Braband; Bernhard Spingler; Ulrich Abram; Roger Alberto","High-Valent Technetium Complexes with the [99TcO3]+ Core from in Situ Prepared Mixed Anhydrides of [99TcO4]- and Their Reactivities","Inorganic Chemistry","2008","47","","257","264","10.1021/ic701908q","","","0.71073","MoKα","","0.0269","0.0236","","","0.068","0.0696","","","","","","1.1","","","","has coordinates","179082","2020-10-21","18:00:00",""
"4304402","7.5144","0.0002","11.616","0.0002","13.9303","0.0003","90","","97.2381","0.0018","90","","1206.25","0.05","183","2","183","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","[TcO3Cl(phen)]","Chloro-trioxo-1,10-phenanthroline-technetium(VII)","","- C12 H8 Cl N2 O3 Tc -","- C12 H8 Cl N2 O3 Tc -","- C48 H32 Cl4 N8 O12 Tc4 -","4","0.5","","Yuji Tooyama; Henrik Braband; Bernhard Spingler; Ulrich Abram; Roger Alberto","High-Valent Technetium Complexes with the [99TcO3]+ Core from in Situ Prepared Mixed Anhydrides of [99TcO4]- and Their Reactivities","Inorganic Chemistry","2008","47","","257","264","10.1021/ic701908q","","","0.71073","MoKα","","0.039","0.0285","","","0.0791","0.0813","","","","","","1.109","","","","has coordinates","179082","2020-10-21","18:00:00",""
"4307641","11.7529","0.0009","27.09","0.002","12.0596","0.0009","90","","106.345","0.002","90","","3684.4","0.5","150","2","150","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C64 H60 Cl10 N12 O2 Zn4 -","- C64 H60 Cl4 N12 O2 Zn4 -","- C128 H120 Cl8 N24 O4 Zn8 -","2","0.25","","Frank B. Johansson; Andrew D. Bond; Christine J. McKenzie","Functional Tetrametallic Linker Modules for Coordination Polymers and Metal-Organic Frameworks","Inorganic Chemistry","2007","46","","2224","2236","10.1021/ic062131s","","","0.71073","MoKα","","0.0957","0.0581","","","0.151","0.1622","","","","","","0.944","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4307643","11.869","0.003","27.292","0.005","12.241","0.004","90","","105.34","0.03","90","","3823.9","1.8","150","2","150","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C66 H63 Cl10 Cu4 N13 O2 Zn2 -","- C66 H63 Cl10 Cu4 N13 O2 Zn2 -","- C132 H126 Cl20 Cu8 N26 O4 Zn4 -","2","0.25","","Frank B. Johansson; Andrew D. Bond; Christine J. McKenzie","Functional Tetrametallic Linker Modules for Coordination Polymers and Metal-Organic Frameworks","Inorganic Chemistry","2007","46","","2224","2236","10.1021/ic062131s","","","0.897","synchrotron","","0.1438","0.0954","","","0.2736","0.304","","","","","","1.07","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307644","11.869","0.003","27.292","0.005","12.241","0.004","90","","105.34","0.03","90","","3823.9","1.8","150","2","150","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C64 H60 Cl4 Cu4 N12 O2 -","- C64 H60 Cl4 Cu4 N12 O2 -","- C128 H120 Cl8 Cu8 N24 O4 -","2","0.25","","Frank B. Johansson; Andrew D. Bond; Christine J. McKenzie","Functional Tetrametallic Linker Modules for Coordination Polymers and Metal-Organic Frameworks","Inorganic Chemistry","2007","46","","2224","2236","10.1021/ic062131s","","","0.897","synchrotron","","0.1078","0.0689","","","0.181","0.1948","","","","","","0.951","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4310992","13.72","0.003","14.309","0.003","14.43","0.003","90","","108.4","0.03","90","","2688.1","1.1","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C24 H83 N6 O32.5 V5 -","- C24 H64 N6 O32.52 V5 -","- C48 H128 N12 O65.04 V10 -","2","0.25","","Bernd Morgenstern; Stefan Steinhauser; Kaspar Hegetschweiler; Eugenio Garribba; Giovanni Micera; Daniele Sanna; László Nagy","Complex Formation of Vanadium(IV) with 1,3,5-Triamino-1,3,5-trideoxy-cis-inositol and Related Ligands","Inorganic Chemistry","2004","43","","3116","3126","10.1021/ic0352046","","","0.71073","MoKα","","0.0636","0.0542","","","0.1688","0.1814","","","","","","1.194","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311789","8.5648","0.0009","12.8938","0.0013","19.012","0.0015","90","","97.088","0.006","90","","2083.5","0.3","293","","293","","","","","","","","?","7","I 1 2/m 1","-I 2y","12","","","","- C10 H40 Cl6 Co2 Hg5 N22 O2 -","- C10 H48 Cl6 Co2 Hg5 N22 O2 -","- C20 H96 Cl12 Co4 Hg10 N44 O4 -","2","0.25","","Neil D. Draper; Raymond J. Batchelor; Pedro M. Aguiar; Scott Kroeker; Daniel B. Leznoff","Factors Affecting the Solid-State Structure and Dimensionality of Mercury Cyanide/Chloride Double Salts, and NMR Characterization of Coordination Geometries","Inorganic Chemistry","2004","43","","6557","6567","10.1021/ic049792e","","","0.7093","MoKα","","0.0632","0.0318","","0.0465","0.043","0.043","","","","","","1.2122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315190","14.251","0.003","3.9895","0.0008","21.145","0.004","90","","97.35","0.03","90","","1192.3","0.4","298","0.2","298","0.2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Cd Cl1.75 O3.125 Sb2 -","- Cd Cl1.75 O3.125 Sb2 -","- Cd8 Cl14 O25 Sb16 -","8","1","","Vinna Jo; Min Kyung Kim; Dong Woo Lee; Il-Wun Shim; Kang Min Ok","Lone Pairs as Chemical Scissors in New Antimony Oxychlorides, Sb2ZnO3Cl2 and Sb16Cd8O25Cl14","Inorganic Chemistry","2010","49","","2990","2995","10.1021/ic902493r","","","0.71073","MoKα","","0.0635","0.047","","","0.1584","0.2267","","","","","","1.094","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4316523","12.0005","0.0005","19.9995","0.0008","12.7349","0.0005","90","","98.979","0.001","90","","3019","0.2","90","2","90","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C66 H88 Ge2 P2 -","- C66 H88 Ge2 P2 -","- C132 H176 Ge4 P4 -","2","0.25","","W. Alexander Merrill; Eric Rivard; Jeffrey S. DeRopp; Xinping Wang; Bobby D. Ellis; James C. Fettinger; Bernd Wrackmeyer; Philip P. Power","Synthesis and Characterization of the M(II) (M = Ge, Sn, or Pb) Phosphinidene Dimers {M(μ-PAr')}2 (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2)","Inorganic Chemistry","2010","49","","8481","8486","10.1021/ic101068a","","","0.71073","MoKα","","0.0483","0.0394","","","0.1009","0.1055","","","","","","1.086","","","","has coordinates,has disorder","179245","2020-10-21","18:00:00",""
"4316525","11.842","0.003","20.591","0.006","12.734","0.004","90","","98.436","0.005","90","","3071.4","1.5","90","2","90","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C66 H88 P2 Pb2 -","- C66 H88 P2 Pb2 -","- C132 H176 P4 Pb4 -","2","0.25","","W. Alexander Merrill; Eric Rivard; Jeffrey S. DeRopp; Xinping Wang; Bobby D. Ellis; James C. Fettinger; Bernd Wrackmeyer; Philip P. Power","Synthesis and Characterization of the M(II) (M = Ge, Sn, or Pb) Phosphinidene Dimers {M(μ-PAr')}2 (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2)","Inorganic Chemistry","2010","49","","8481","8486","10.1021/ic101068a","","","0.71073","MoKα","","0.0865","0.057","","","0.1486","0.1607","","","","","","1.095","","","","has coordinates,has disorder","179245","2020-10-21","18:00:00",""
"4316888","22.28316","0.00032","3.13501","0.000042","8.13157","0.00017","90","","97.7533","0.0012","90","","562.862","0.016","293","","293","","","","","","","","","4","I 1 2/m 1","-I 2y","12","F9; 9-1-4; 9Mg(OH)2 1MgCl2 4H2O","","","- Cl2 H26 Mg10 O22 -","- Cl2.17 Mg10 O22.366 -","- Cl2.17 Mg10 O22.366 -","1","0.125","","Robert E. Dinnebier; Daniela Freyer; Sebastian Bette; Melanie Oestreich","9Mg(OH)2.MgCl2.4H2O, a High Temperature Phase of the Magnesia Binder System","Inorganic Chemistry","2010","49","","9770","9776","10.1021/ic1004566","powder diffraction","x-ray","1.54059","laboratory","","","","","","","","0.0244","","","","","","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4317971","9.25","0.0004","11.3768","0.0005","11.3137","0.0007","90","","99.228","0.001","90","","1175.19","0.1","90","2","90","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","[Au{C(NHMe)2}2]Cl.H2O","","","- C6 H18 Au Cl N4 O -","- C6 H18 Au Cl N4 O -","- C24 H72 Au4 Cl4 N16 O4 -","4","0.5","","Rochelle L. White-Morris; Marilyn M. Olmstead; Feilong Jiang; Alan L. Balch","New Insights into the Effects of Self-Association of the Cation [Au{C(NHMe)2}2]+ on Its Solid State Structure and Luminescence","Inorganic Chemistry","2002","41","","2313","2315","10.1021/ic020030y","","","0.71073","MoKα","","0.024","0.0233","","","0.0599","0.0603","","","","","","1.114","","","","has coordinates","179259","2020-10-21","18:00:00",""
"4317972","9.3997","0.0011","11.4229","0.0014","11.5291","0.0014","90","","101.013","0.009","90","","1215.1","0.3","91","2","91","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","[Au{C(NHMe)2}2]Br.H2O","","","- C6 H18 Au Br N4 O -","- C6 H18 Au Br N4 O -","- C24 H72 Au4 Br4 N16 O4 -","4","0.5","","Rochelle L. White-Morris; Marilyn M. Olmstead; Feilong Jiang; Alan L. Balch","New Insights into the Effects of Self-Association of the Cation [Au{C(NHMe)2}2]+ on Its Solid State Structure and Luminescence","Inorganic Chemistry","2002","41","","2313","2315","10.1021/ic020030y","","","0.71073","MoKα","","0.0145","0.0136","","","0.0321","0.0323","","","","","","1.132","","","","has coordinates","179259","2020-10-21","18:00:00",""
"4321367","15.7618","0.0009","16.4821","0.0009","21.1124","0.0012","90","","107.473","0.001","90","","5231.7","0.5","223","2","223","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","Strontium vanadium borophosphate","Ammoniumdiprotonated1,3-diaminopropanebis(tetraaquostrontium) dodecavanadyl(IV)hexaborododecaphosphate hydrate","","- C18 H130 B6 N14 O97 P12 Sr2 V12 -","- C3.6 H14.4 B1.2 N2.6 O19.32 P2.4 Sr0.4 V2.4 -","- C36 H144 B12 N26 O193.2 P24 Sr4 V24 -","10","1.25","","Junghwan Do; Ranko P. Bontchev; Allan J. Jacobson","Influence of Hydrogen Bonding on the Assembly of Six-Membered Vanadium Borophosphate Cluster Anions: Synthesis and Structures of (NH~4~)~2~(C~2~H~10~N~2~)~6~[Sr(H~2~O)~5~]~2~[V~2~P~2~BO~12~ ]~6~10H~2~O, (NH~4~)~2~(C~3~H~12~N~2~)~6~[Sr(H~2~O)~4~]~2~ [V~2~P~2~BO~12~]~6~17H~2~O, (NH~4~)~3~(C~2~H~10~N~2~)~4.5~ [Sr(H~2~O)~5~]~2~[Sr(H~2~O)~4~][V~2~P~2~BO~12~]~6~10H~2~O","Inorganic Chemistry","2000","39","","4305","4310","10.1021/ic000435n","","","0.71073","MoKα","","0.0563","0.0448","","0.1345","0.1214","","","","1.09","1.076","1.076","","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4321906","11.73","0.001","18.64","0.002","13.331","0.002","90","","93.74","0.01","90","","2908.6","0.6","130","","130","","","","","","","","by syntheses","6","I 1 2/m 1","-I 2y","12","","","","- C52 H51 Cl4 Fe2 N13 O17 -","- C50 H48 Cl4 Fe2 N12 O17 -","- C100 H96 Cl8 Fe4 N24 O34 -","2","0.25","","Gerard Roelfes; Marcel Lubben; Kui Chen; Raymond Y. N. Ho; Auke Meetsma; Susan Genseberger; Roel M. Hermant; Ronald Hage; Sanjay K. Mandal; Victor G. Young,; Yan Zang; Huub Kooijman; Anthony L. Spek; Lawrence Que,; Ben L. Feringa","Iron Chemistry of a Pentadentate Ligand That Generates a Metastable FeIII-OOH Intermediate","Inorganic Chemistry","1999","38","","1929","1936","10.1021/ic980983p","","","0.71073","MoKα","","","0.063","","","0.61","","","","","","","2.788","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4328470","13.2868","0.0011","18.8506","0.0011","14.4279","0.0012","90","","111.031","0.006","90","","3373","0.5","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C82 H90 N8 O Ti -","- C82 H90 N8 O Ti -","- C164 H180 N16 O2 Ti2 -","2","0.25","","Elisabeth Seikel; Benjamin Oelkers; Jörg Sundermeyer","Axial Functionalization of Sterically Hindered Titanium Phthalocyanines","Inorganic Chemistry","2012","51","","2709","2717","10.1021/ic202749v","","","0.71073","MoKα","","0.1685","0.0628","","","0.1359","0.1689","","","","","","0.865","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4330136","3.8442","0.0003","3.8492","0.0003","35.811","0.003","90","","88.809","0.006","90","","529.78","0.07","25","","","","","","","","","","","6","I 1 2/m 1","-I 2y","12","","PrSr3Co1.5Fe1.5O8(OH)2.2H2O","","- Co3 Fe3 H12 O24 Pr2 Sr6 -","- Co3 Fe3 O24 Pr2 Sr6 -","- Co3 Fe3 O24 Pr2 Sr6 -","1","0.125","","Laurent Jantsky; Hiroshi Okamoto; Antoine Demont; Helmer Fjellvåg","Tuning of Water and Hydroxide Content of Intercalated Ruddlesden-Popper-type Oxides in the PrSr3Co1.5Fe1.5O10-δSystem","Inorganic Chemistry","2012","51","","9181","9191","10.1021/ic300001s","powder diffraction","","0.70417","synchrotron","","","","","","","","","13.8003","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333046","14.4085","0.0001","18.9382","0.0003","17.0522","0.0001","90","","101.696","0.001","90","","4556.44","0.08","293","2","293","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C18 H57 La2 N4 O30 P5 S -","- C18 H32 La2 N4 O30 P5 S -","- C72 H128 La8 N16 O120 P20 S4 -","4","0.5","","Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao","Rational Design of 0D, 1D, and 3D Open Frameworks Based on Tetranuclear Lanthanide(III) Sulfonate−Phosphonate Clusters","Inorganic Chemistry","2006","45","24","9780","9788","10.1021/ic0613255","","","0.71073","MoKα","","0.0967","0.0672","","","0.1244","0.1365","","","","","","1.193","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333047","14.303","0.002","18.7159","0.0011","17.0511","0.0011","90","","102.118","0.002","90","","4462.8","0.7","293","2","293","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C18 H57 N4 Nd2 O30 P5 S -","- C18 H32 N4 Nd2 O30 P5 S -","- C72 H128 N16 Nd8 O120 P20 S4 -","4","0.5","","Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao","Rational Design of 0D, 1D, and 3D Open Frameworks Based on Tetranuclear Lanthanide(III) Sulfonate−Phosphonate Clusters","Inorganic Chemistry","2006","45","24","9780","9788","10.1021/ic0613255","","","0.71073","MoKα","","0.063","0.0554","","","0.1291","0.1352","","","","","","1.117","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4337674","10.0785","0.0006","7.5317","0.0003","12.8559","0.0008","90","","110.743","0.007","90","","912.61","0.1","130","2","130","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C18 H10 Cu2 F4 N6 -","- C18 H10 Cu2 F4 N6 -","- C36 H20 Cu4 F8 N12 -","2","0.25","","Le, Thanh H.; Nafady, Ayman; Vo, Nguyen T.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Abrahams, Brendan F.; Martin, Lisandra L.; Bond, Alan M.","Electrochemically Directed Synthesis of Cu2(I)(TCNQF4(II-))(MeCN)2 (TCNQF4 = 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane): Voltammetry, Simulations, Bulk Electrolysis, Spectroscopy, Photoactivity, and X-ray Crystal Structure of the Cu2(I)(TCNQF4(II-))(EtCN)2 Analogue.","Inorganic chemistry","2014","53","6","3230","3242","10.1021/ic500225v","","","1.54184","CuKα","","0.0309","0.0285","","","0.0791","0.0801","","","","","","1.12","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4341616","10.46","0.002","6.38","0.0013","12.58","0.003","90","","91.54","0.03","90","","839.2","0.3","100","2","100","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","BaThTe4","","","- Ba Te4 Th -","- Ba Te4 Th -","- Ba4 Te16 Th4 -","4","0.5","","Prakash, Jai; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Resistivity Studies, and Electronic Properties of Three New Barium Actinide Tellurides: BaThTe4, BaUTe4, and BaUTe6.","Inorganic chemistry","2014","","","141111074323002","","10.1021/ic502246p","","","0.71073","MoKα","","0.0279","0.0268","","","0.0738","0.0744","","","","","","1.678","","","","has coordinates","209173","2020-10-21","18:00:00",""
"4341617","10.363","0.002","6.3037","0.0013","12.458","0.002","90","","91.26","0.03","90","","813.6","0.3","100","2","100","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","BaUTe4","","","- Ba Te4 U -","- Ba Te4 U -","- Ba4 Te16 U4 -","4","0.5","","Prakash, Jai; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Resistivity Studies, and Electronic Properties of Three New Barium Actinide Tellurides: BaThTe4, BaUTe4, and BaUTe6.","Inorganic chemistry","2014","","","141111074323002","","10.1021/ic502246p","","","0.71073","MoKα","","0.0268","0.0244","","","0.0588","0.0596","","","","","","1.231","","","","has coordinates","209173","2020-10-21","18:00:00",""
"4343509","17.6719","0.0003","3.8006","0.0002","11.8924","0.0009","90","0.005","95.295","0.007","90","0.005","795.33","0.08","293","2","293","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Nb2 O7 Ti -","- Nb1.999 O7 Ti1.001 -","- Nb11.994 O42 Ti6.006 -","6","0.75","","Perfler, Lukas; Kahlenberg, Volker; Wikete, Christoph; Schmidmair, Daniela; Tribus, Martina; Kaindl, Reinhard","Nanoindentation, High-Temperature Behavior, and Crystallographic/Spectroscopic Characterization of the High-Refractive-Index Materials TiTa2O7 and TiNb2O7.","Inorganic chemistry","2015","54","14","6836","6848","10.1021/acs.inorgchem.5b00733","","","0.71073","MoKα","","0.0286","0.0213","","","0.0429","0.0453","","","","","","1.001","","","","has coordinates","154613","2020-10-21","18:00:00",""
"4343510","17.6624","0.0012","3.8012","0.0003","11.829","0.0009","90","","95.135","0.007","90","","790.99","0.1","293","2","293","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- O7 Ta2 Ti -","- O7 Ta1.99933 Ti1.00067 -","- O42 Ta11.996 Ti6.004 -","6","0.75","","Perfler, Lukas; Kahlenberg, Volker; Wikete, Christoph; Schmidmair, Daniela; Tribus, Martina; Kaindl, Reinhard","Nanoindentation, High-Temperature Behavior, and Crystallographic/Spectroscopic Characterization of the High-Refractive-Index Materials TiTa2O7 and TiNb2O7.","Inorganic chemistry","2015","54","14","6836","6848","10.1021/acs.inorgchem.5b00733","","x-ray","0.71073","MoKα","","0.0334","0.0296","","","0.0626","0.0643","","","","","","1.247","","","","has coordinates","154613","2020-10-21","18:00:00",""
"4343693","8.14","","6.823","","8.852","","90","","91.92","","90","","491.357","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","Nb Cl4","","- Cl4 Nb -","- Cl4 Nb -","- Cl16 Nb4 -","4","0.5","","Taylor, D.R.; Calabrese, J.C.; Larsen, E.M.","Crystal structure of niobium tetrachloride","Inorganic Chemistry","1977","16","","721","722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343752","10.557","","10.481","","10.144","","90","","102.14","","90","","1097.31","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","H Os3 Re (C O)15","","- C15 H O15 Os3 Re -","- C15 O15 Os3 Re -","- C30 O30 Os6 Re2 -","2","0.25","","Churchill, M.R.; Hollander, F.J.","Structural studies on polynuclear osmium carbonyl hydrides. 4. Crystal structure and molecular geometry of H Os3 Re (C O)15 , a rhomboidal metal cluster species","Inorganic Chemistry","1977","16","","2493","2497","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344308","22.216","","13.323","","6.6236","","90","","90.15","","90","","1960.47","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","Zr12 Al4 Cl51","","- Cl36 Zr12 -","- Cl36 Zr12 -","- Cl36 Zr12 -","1","0.125","","Kleppinger, J.; Wrazel, J.; Calabrese, J.C.; Larsen, E.M.","Preparation and Structure of a Reduced-State Zirconium Cluster Containing Triangular (Zr3 Cl6) Units","Inorganic Chemistry","1980","19","","3172","3175","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"4345475","11.728","0.005","6.853","0.005","20.166","0.005","90","0.005","92.328","0.005","90","0.005","1619.4","1.4","298","2","298","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C12 H14 Cu N2 O10 S -","- C12 H14 Cu N2 O10 S -","- C48 H56 Cu4 N8 O40 S4 -","4","0.5","","Maity, Dilip Kumar; Otake, Kenichi; Ghosh, Saheli; Kitagawa, Hiroshi; Ghoshal, Debajyoti","Sulfonic Group Functionalized Mixed Ligand Coordination Polymers: Synthesis, Characterization, Water Sorption, and Proton Conduction Studies.","Inorganic chemistry","2017","56","3","1581","1590","10.1021/acs.inorgchem.6b02674","","","0.71073","MoKα","","0.0433","0.0372","","","0.0977","0.1018","","","","","","1.065","","","","has coordinates","209173","2020-10-21","18:00:00",""
"4345882","12.333","0.0008","30.364","0.002","26.7615","0.0017","90","","101.072","0.006","90","","9835.1","1.1","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C64 H52 Mn6 N16 O22 -","- C64 H52 Mn6 N16 O22 -","- C256 H208 Mn24 N64 O88 -","4","0.5","","Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.","Inorganic chemistry","2017","56","10","5657","5668","10.1021/acs.inorgchem.7b00191","","","0.71073","MoKα","","0.1292","0.0889","","","0.2197","0.2564","","","","","","0.927","","","","has coordinates","197229","2020-10-21","18:00:00",""
"4346017","11.3404","0.0002","29.1741","0.0007","14.8727","0.0003","90","","92.023","0.002","90","","4917.51","0.18","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C43 H51 N4 O24 Zn2 -","- C43 H33 N4 O15 Zn2 -","- C172 H132 N16 O60 Zn8 -","4","0.5","","Tan, Bin; Chen, Cheng; Cai, Li-Xuan; Zhang, Ya-Jun; Huang, Xiao-Ying; Zhang, Jie","Introduction of lewis acidic and redox-active sites into a porous framework for ammonia capture with visual color response.","Inorganic chemistry","2015","54","7","3456","3461","10.1021/acs.inorgchem.5b00023","","","1.54178","CuKα","","0.0548","0.0512","","","0.1205","0.1233","","","","","","1.017","","","","has coordinates,has disorder","231583","2020-10-21","18:00:00",""
"4349519","13.657","0.005","18.686","0.005","31.503","0.005","90","0.005","101.532","0.005","90","0.005","7877","4","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C39 H25 Cu3 N6 O13 -","- C39 H25 Cu3 N6 O13 -","- C156 H100 Cu12 N24 O52 -","4","0.5","","Kourtellaris, Andreas; Moushi, Eleni E.; Spanopoulos, Ioannis; Tampaxis, Christos; Charalambopoulou, Georgia; Steriotis, Theodore A.; Papaefstathiou, Giannis S.; Trikalitis, Pantelis N.; Tasiopoulos, Anastasios J.","A microporous Cu2+MOF based on a pyridyl isophthalic acid Schiff base ligand with high CO2uptake","Inorganic Chemistry Frontiers","2016","3","12","1527","","10.1039/C6QI00273K","","","1.5418","CuKα","","0.0898","0.0765","","","0.2362","0.2505","","","","","","1.189","","","","has coordinates","234849","2020-10-21","18:00:00",""
"4349747","14.8976","0.0005","20.6011","0.0008","16.2057","0.0006","90","","96.757","0.003","90","","4939.1","0.3","293","2","293","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C24 H132 Cu6 N24 Nb12 O60 Si V2 -","- C24 H72 Cu6 N24 Nb12 O60 Si V2 -","- C48 H144 Cu12 N48 Nb24 O120 Si2 V4 -","2","0.25","","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","","0.0686","0.0602","","","0.1531","0.1604","","","","","","1.096","","","","has coordinates","235786","2020-10-21","18:00:00",""
"4502557","3.8103","0.0002","16.7026","0.001","22.2523","0.0012","90","","90.021","0.003","90","","1416.18","0.14","173","2","173","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","Ag(bpy)NbOF4.2H2O","","","- C10 H12 Ag F4 N2 Nb O3 -","- C10 H12 Ag F4 N2 Nb O3 -","- C40 H48 Ag4 F16 N8 Nb4 O12 -","4","0.5","","Lin, Haisheng; Maggard, Paul A.","Microporosity, Optical Bandgap Sizes, and Photocatalytic Activity of M(I)-Nb(V) (M = Cu, Ag) Oxyfluoride Hybrids","Crystal Growth & Design","2010","10","3","1323","","10.1021/cg9013625","","","0.71073","MoKα","","0.0706","0.0556","","","0.142","0.1502","","","","","","1.064","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4504594","6.6548","0.0014","11.695","0.002","8.146","0.003","90","","91.32","0.003","90","","633.8","0.3","173","2","173","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C10 H10 Cl4 N2 Pt -","- C10 H10 Cl4 N2 Pt -","- C20 H20 Cl8 N4 Pt2 -","2","0.25","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0289","0.0289","","","0.0657","0.0657","","","","","","1.083","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4505763","8.6155","0.0005","15.7605","0.001","13.1152","0.0009","90","","104.238","0.002","90","","1726.14","0.19","180","2","180","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","5,15-diphenyl-2,8,12,18-tetraethyl-3,7,13,17-tetramethylporphyrin, alpha form","","- C44 H46 N4 -","- C44 H46 N4 -","- C88 H92 N8 -","2","0.25","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.6904","synchrotron","","0.0674","0.0524","","","0.1388","0.1474","","","","","","1.006","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4508922","3.8623","0.0016","9.206","0.004","30.164","0.012","90","","92.688","0.007","90","","1071.3","0.8","298","2","298","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","1,2,4,5 benzoictetracarboxlic acid , 4 bromoaniline","","- C22 H18 Br2 N2 O8 -","- C22 H18 Br2 N2 O8 -","- C44 H36 Br4 N4 O16 -","2","0.25","","Eppel, Sagi; Bernstein, Joel","Statistics-Based Design of Multicomponent Molecular Crystals with the Three-Center Hydrogen Bond","Crystal Growth & Design","2009","9","4","1683","","10.1021/cg8002788","","x-ray","0.71073","MoKα","","0.0864","0.0788","","","0.2182","0.2251","","","","","","1.071","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4513163","16.446","0.005","7.763","0.005","13.69","0.005","90","","94.214","0.005","90","","1743.1","1.4","130","2","130","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C30 H32 Br2 Cu2 N6 O2 S2 -","- C30 H32 Br2 Cu2 N6 O2 S2 -","- C60 H64 Br4 Cu4 N12 O4 S4 -","2","0.25","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","x-ray","1.54184","CuKα","","0.031","0.0279","","","0.0708","0.0723","","","","","","1.106","","","","has coordinates","209173","2020-10-21","18:00:00",""
"4514514","3.7703","0.0002","27.5034","0.0016","29.3675","0.0016","90","","92.841","0.006","90","","3041.6","0.3","100","0.3","100","0.3","","","","","","","","3","I 1 2/m 1","-I 2y","12","","PFC-1","","- C44 H26 O8 -","- C44 H26 O8 -","- C88 H52 O16 -","2","0.25","","Yin, Qi; Li, Yu-Lin; Li, Lan; Lü, Jian; Liu, Tian-Fu; Cao, Rong","Novel Hierarchical Meso-Microporous Hydrogen-Bonded Organic Framework for Selective Separation of Acetylene and Ethylene versus Methane.","ACS applied materials & interfaces","2019","11","19","17823","17827","10.1021/acsami.9b03696","","x-ray","1.54184","CuKα","","0.0799","0.0549","","","0.175","0.1931","","","","","","1.056","","","","has coordinates","219699","2020-10-21","18:00:00",""
"4514920","8.5277","0.0001","7.6795","0.0001","13.5715","0.0001","90","","91.593","0.001","90","","888.433","0.017","100.01","0.1","100.01","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- Cl5 H24 N9 O2 Ru2 -","- Cl4.5 H24 N9 O2 Ru2 -","- Cl9 H48 N18 O4 Ru4 -","2","0.25","","Woods, Joshua J.; Nemani, Neeharika; Shanmughapriya, Santhanam; Kumar, Akshay; Zhang, MengQi; Nathan, Sarah R.; Thomas, Manfred; Carvalho, Edmund; Ramachandran, Karthik; Srikantan, Subramanya; Stathopulos, Peter B.; Wilson, Justin J.; Madesh, Muniswamy","A Selective and Cell-Permeable Mitochondrial Calcium Uniporter (MCU) Inhibitor Preserves Mitochondrial Bioenergetics after Hypoxia/Reoxygenation Injury.","ACS central science","2019","5","1","153","166","10.1021/acscentsci.8b00773","","x-ray","1.54184","CuKα","","0.055","0.0547","","","0.1425","0.1427","","","","","","1.066","","","","has coordinates,has disorder","220083","2020-10-21","18:00:00",""
"7002168","11.897","0.002","22.067","0.004","13.312","0.003","90","","93.82","0.03","90","","3487","1.2","300","","300","","","","160000","","","","Alessandro Prescimone","6","I 1 2/m 1","-I 2y","12","","","","- C52 H52 Cl3 Mn3 N8 O18 -","- C52 H52 Cl3 Mn3 N8 O18 -","- C104 H104 Cl6 Mn6 N16 O36 -","2","0.25","","Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin V.; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Murrie, Mark; Parsons, Simon; Brechin, Euan K.","High pressure effects on a trimetallic MnII/III SMM","Dalton Transactions","2009","","36","7390","7395","10.1039/b908718d","","","0.4767","Synchrotron","","0.1242","0.0735","","0.0464","0.0417","0.0417","","","","","","0.975","","","","has coordinates,has disorder","179719","2020-10-21","18:00:00",""
"7002169","11.549","0.002","21.72","0.004","12.991","0.003","90","","94.04","0.03","90","","3250.6","1.1","300","","300","","","","570000","","","","Alessandro Prescimone","6","I 1 2/m 1","-I 2y","12","","","","- C52 H52 Cl3 Mn3 N8 O18 -","- C52 H52 Cl3 Mn3 N8 O18 -","- C104 H104 Cl6 Mn6 N16 O36 -","2","0.25","","Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin V.; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Murrie, Mark; Parsons, Simon; Brechin, Euan K.","High pressure effects on a trimetallic MnII/III SMM","Dalton Transactions","2009","","36","7390","7395","10.1039/b908718d","","","0.4767","Synchrotron","","0.1031","0.0665","","0.0433","0.0398","0.0398","","","","","","0.9624","","","","has coordinates","179719","2020-10-21","18:00:00",""
"7002170","11.331","0.002","21.547","0.004","12.817","0.003","90","","93.67","0.03","90","","3122.8","1.1","300","","300","","","","1250000","","","","Alessandro Prescimone","6","I 1 2/m 1","-I 2y","12","","","","- C52 H52 Cl3 Mn3 N8 O18 -","- C52 H52 Cl3 Mn3 N8 O18 -","- C104 H104 Cl6 Mn6 N16 O36 -","2","0.25","","Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin V.; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Murrie, Mark; Parsons, Simon; Brechin, Euan K.","High pressure effects on a trimetallic MnII/III SMM","Dalton Transactions","2009","","36","7390","7395","10.1039/b908718d","","","0.4767","Synchrotron","","0.1678","0.0996","","0.0604","0.0521","0.0521","","","","","","0.9988","","","","has coordinates","179719","2020-10-21","18:00:00",""
"7004311","5.9303","0.0004","7.8984","0.0004","11.8361","0.0008","90","","102.334","0.008","90","","541.61","0.06","183","2","183","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C7 H6 Br N2 O3 Re -","- C7 H6 Br N2 O3 Re -","- C14 H12 Br2 N4 O6 Re2 -","2","0.25","","Kromer, Lukas; Spingler, Bernhard; Alberto, Roger","Substitution reactions with [ReBr2(CO)2(NCCH3)2]−: a convenient route to complexes with the cis-[Re(CO)2]+ core","Dalton Transactions","2008","","42","5800","5806","10.1039/b805410j","","","0.71073","MoKα","","0.0492","0.0478","","","0.1066","0.1095","","","","","","1.206","","","","has coordinates","179747","2020-10-21","18:00:00",""
"7005956","10.206","0.002","15.864","0.003","15.607","0.003","90","","105.716","0.003","90","","2432.4","0.8","213","2","213","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C44 H80 Mo2 N12 -","- C44 H80 Mo2 N12 -","- C88 H160 Mo4 N24 -","2","0.25","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Increasing the solubility of strong reducing agents containing Mo(2)(4+) units and alkyl-substituted guanidinate ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3943","3951","10.1039/b707201e","","","0.71073","MoKα","","0.0464","0.0368","","","0.0835","0.0862","","","","","","1.006","","","","has coordinates,has disorder","179763","2020-10-21","18:00:00",""
"7009999","6.6548","0.0014","11.695","0.002","8.146","0.003","90","","91.32","0.003","90","","633.8","0.3","173","2","173","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C10 H10 Cl4 N2 Pt -","- C10 H10 Cl4 N2 Pt -","- C20 H20 Cl8 N4 Pt2 -","2","0.25","","Gillon, Amy L.; Lewis, Gareth R.; Orpen, A. Guy; Rotter, Sarah; Starbuck, Jonathan; Wang, Xi-Meng; Rodríguez-Martín, Yolanda; Ruiz-Pérez, Catalina","Organic‒inorganic hybrid solids: control of perhalometallate solid state structures †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3897","","10.1039/b005036i","","","0.71073","MoKα","","0.0289","0.0289","","","0.0657","0.0657","","","","","","1.083","","","","has coordinates","179803","2020-10-21","18:00:00",""
"7013013","12.2182","0.0003","17.9539","0.001","16.4195","0.0006","90","","97.653","0.002","90","","3569.8","0.3","183","2","183","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C72 H114 Cl2 Mg2 N4 -","- C74 H115 Cl2 Mg2 N4 -","- C148 H230 Cl4 Mg4 N8 -","2","0.25","","Dove, Andrew P.; Gibson, Vernon C.; Hormnirun, Pimpa; Marshall, Edward L.; Segal, John A.; White, Andrew J. P.; Williams, David J.","Low coordinate magnesium chemistry supported by a bulky ?-diketiminate ligand","Dalton Transactions","2003","","15","3088","","10.1039/b303550f","","","1.54178","CuKα","","0.0596","0.047","","0.1317","0.1174","","","","1.073","1.092","1.092","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019957","11.6722","0.0003","6.9965","0.0002","15.7268","0.0005","90","","106.463","0.003","90","","1231.67","0.06","200","2","200","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C11 H11 Br N O Te -","- C11 H11 Br N O Te -","- C44 H44 Br4 N4 O4 Te4 -","4","0.5","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Isolation and molecular structures of novel organotellurium(iv) halides, oxyhalide and mixed halide.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10707","10714","10.1039/c2dt30645j","","","0.71073","MoKα","","0.0654","0.0555","","","0.1332","0.1353","","","","","","1.27","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7021663","8.6878","0.001","12.6566","0.001","13.9992","0.0016","90","","97.749","0.013","90","","1525.3","0.3","190","2","190","2","","","","","","","synthesis as described","4","I 1 2/m 1","-I 2y","12","","","","- C28 H54 N6 V2 -","- C28 H54 N6 V2 -","- C56 H108 N12 V4 -","2","0.25","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0458","0.0441","","","0.1134","0.1149","","","","","","1.052","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7034622","5.5683","0.0005","5.5683","0.0004","8.4637","0.0003","90","","90.2877","0.0003","90","","262.42","0.03","300","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","Barium Copper Lanthanum Antimony(V) Oxide(1/1/1/1/6)","","","- Ba Cu La O6 Sb -","- Ba Cu La O6 Sb -","- Ba2 Cu2 La2 O12 Sb2 -","2","0.25","","Blanco, M. Cecilia; Paz, Sergio Alexis; Nassif, Vivian M.; Guimpel, Julio J.; Carbonio, Raúl E","Synthesis and characterization of the new two-dimensional Heisenberg antiferromagnet double perovskite BaLaCuSbO6.","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10860","10866","10.1039/c4dt03880k","powder diffraction","","1.91","ConstantWavelengthNeutronDiffraction","","","","","","","","","10.5356","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7038963","7.4315","0.0014","13.956","0.003","20.444","0.004","90","","99.124","0.018","90","","2093.5","0.7","173","0.1","173","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C26 H28 Co7 N10 O24 S2 -","- C26 H28 Co7 N10 O24 S2 -","- C52 H56 Co14 N20 O48 S4 -","2","0.25","","Yang, En-Cui; Liu, Zhong-Yi; Zhang, Lei; Yang, Na; Zhao, Xiao-Jun","Magnetism behaviours dominated by the interplay of magnetic anisotropy and exchange coupling in local Co discs.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8134","8141","10.1039/c6dt00010j","","x-ray","1.54184","CuKα","","0.2113","0.117","","","0.2796","0.3093","","","","","","1.042","","","","has coordinates,has disorder","185546","2020-10-21","18:00:00",""
"7039699","8.5779","0.0003","17.6149","0.0007","15.0573","0.0006","90","","96.829","0.003","90","","2259","0.15","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C30 H30 Br4 Cu10 N12 S6 -","- C30 H30 Br4 Cu10 N12 S6 -","- C60 H60 Br8 Cu20 N24 S12 -","2","0.25","","Song, Jiang-Feng; Li, Si-Zhe; Zhou, Rui-Sha; Shao, Jia; Qiu, Xiao-Min; Jia, Ying-Ying; Wang, Jun; Zhang, Xiao","Three novel Cu6S6 cluster-based coordination compounds: synthesis, framework modulation and the sensing of small molecules and Fe(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11883","11891","10.1039/c6dt02264b","","","0.71073","MoKα","","0.0496","0.0351","","","0.0695","0.0765","","","","","","0.999","","","","has coordinates","185482","2020-10-21","18:00:00",""
"7040656","15.1399","0.0014","24.824","0.002","25.19","0.003","90","","103.469","0.002","90","","9206.8","1.6","296","2","296.15","","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- H43 K14 Na6 Nb32 Ni10 O183 -","- K14 Na6 Nb32 Ni10 O183 -","- K28 Na12 Nb64 Ni20 O366 -","2","0.25","","Liang, Zhijie; Zhang, Dongdi; Wang, Haiying; Ma, Pengtao; Yang, Zongfei; Niu, Jingyang; Wang, Jingping","The {Ni10Nb32} aggregate: a perspective on isopolyniobates as ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16173","16176","10.1039/c6dt02575g","","","0.71073","MoKα","","0.0893","0.0572","","","0.133","0.1646","","","","","","1.053","","","","has coordinates","188155","2020-10-21","18:00:00",""
"7040736","24.5002","0.0017","10.6328","0.0006","31.5213","0.0016","90","","94.362","0.003","90","","8187.7","0.8","100","2","100","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C120 H100 Dy4 Fe4 N16 O25 Zn4 -","- C120 H100 Dy4 Fe4 N16 O25 Zn4 -","- C240 H200 Dy8 Fe8 N32 O50 Zn8 -","2","0.25","","Chakraborty, Amit; Goura, Joydeb; Bag, Prasenjit; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Windmill-shaped octanuclear Zn/Ln (Ln(III) = Dy, Tb, Ho) heterometallic ensembles supported by a tetraferrocene scaffold.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17633","17643","10.1039/c6dt03144g","","","0.71073","MoKα","","0.0882","0.0497","","","0.1325","0.1431","","","","","","0.995","","","","has coordinates","190196","2020-10-21","18:00:00",""
"7040737","24.618","0.004","10.6144","0.0014","31.379","0.004","90","","94.479","0.007","90","","8174","2","100","2","100","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C120 H106 Fe4 N16 O25 Tb4 Zn4 -","- C120 H106 Fe4 N16 O25 Tb4 Zn4 -","- C240 H212 Fe8 N32 O50 Tb8 Zn8 -","2","0.25","","Chakraborty, Amit; Goura, Joydeb; Bag, Prasenjit; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Windmill-shaped octanuclear Zn/Ln (Ln(III) = Dy, Tb, Ho) heterometallic ensembles supported by a tetraferrocene scaffold.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17633","17643","10.1039/c6dt03144g","","","0.71073","MoKα","","0.0816","0.0459","","","0.1289","0.1371","","","","","","1.03","","","","has coordinates","190196","2020-10-21","18:00:00",""
"7043197","11.5286","0.0004","18.4128","0.0005","16.9015","0.0006","90","","98.985","0.003","90","","3543.7","0.2","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C33.5 H42 Au Cl3 N8 O3.5 -","- C33.5 H30 Au Cl3 N8 O3.5 -","- C134 H120 Au4 Cl12 N32 O14 -","4","0.5","","Mageed, Ahmed Hassoon; Skelton, Brian W.; Baker, Murray V.","Stable AuIII complexes with four N-heterocyclic carbene groups can be prepared in high yield directly from KAuCl4.","Dalton Trans.","2017","","","","","10.1039/C7DT01272A","","x-ray","1.54184","CuKα","","0.0691","0.0546","","","0.143","0.1541","","","","","","1.117","","","","has coordinates,has disorder","197187","2020-10-21","18:00:00",""
"7045483","7.358","0.0006","6.3903","0.0006","15.2247","0.0016","90","","90.318","0.009","90","","715.85","0.12","293","2","150","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- Cl Na O2.5 P0.5 V0.5 -","- Cl Na O2.5 P0.5 V0.5 -","- Cl8 Na8 O20 P4 V4 -","8","1","","Weetman, Catherine; Notman, Stuart; Arnold, Polly L.","Destruction of chemical warfare agent simulants by air and moisture stable metal NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2568","2574","10.1039/c7dt04805j","","x-ray","0.71073","MoKα","","0.1138","0.0977","","","0.2447","0.2631","","","","","","1.126","","","","has coordinates","229410","2020-10-21","18:00:00",""
"7053246","14.929","0.003","21.378","0.003","18.173","0.002","90","","108.889","0.011","90","","5487.6","1.5","293","2","293","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","5,11,17,23-tetra-(tert-butyl)calix(4)arene 25,26- (dihydroxy)(27,28-(2,6-di-tert-butyl-4-methyl- phenyl))monophosphite,monohydrate","5,11,17,23-tetra-(tert-butyl)calix[4]arene 25,26-(dihydroxy){27,28-(2,6-di-tert-butyl- 4-methyl-phenyl)}monophosphite,monohydrate","","- C59 H79 O6 P -","- C59 H76 O5.94 P -","- C236 H304 O23.76 P4 -","4","0.5","","Maji, Pathik; Krishnamurthy, Setharampattu S.; Nethaji, Munirathinam","NMR and X-ray crystallographic studies of unsymmetrical 25,26;27,28-dibridged para-tert-butyl calix[4]arene bisphosphites with a large “through-space” P‒P coupling","New Journal of Chemistry","2010","34","7","1478","","10.1039/b903771c","","","0.71073","MoKα","","0.1373","0.1067","","","0.3228","0.3451","","","","","","1.306","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7056234","11.0492","0.0008","6.9453","0.0006","13.528","0.001","90","","107.219","0.008","90","","991.61","0.14","297","2","297","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","4,7-Dimethyl-2H-chromen-2-thione","","- C11 H10 O S -","- C11 H10 O S -","- C44 H40 O4 S4 -","4","0.5","","Delgado Espinosa, Zuly; Saeed, Aamer; Mahmood, Shamsul; Echeverría, Gustavo A.; Piro, Oscar E.; Erben, Mauricio Federico Federico","The Effect of Chalcogen Substitution on the Structure and Spectroscopy of 4,7-Dimethyl-2H-chromen-2-one/thione Analogues","New J. Chem.","2017","","","","","10.1039/C7NJ01311F","","x-ray","1.54184","CuKα","","0.0596","0.0495","","","0.135","0.1507","","","","","","1.039","","","","has coordinates","209173","2020-10-21","18:00:00",""
"7059178","19.5549","0.0014","4.5007","0.0002","19.9119","0.0009","90","","119.005","0.0014","90","","1532.66","0.15","120","2","120","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C5 H6 I3 Pb1.3 S4 -","- C4 H6 I3 Pb1.3 S4 -","- C16 H24 I12 Pb5.2 S16 -","4","0.5","","Yin, Wen-Yu; Weng, Yi-Gang; Jiang, Miao; Yu, Shuai-Kang; Zhu, Qin-Yu; Dai, Jie","(TMT‒TTF)[Pb2.6/3□0.4/3I2]3: a TTF-intercalated two-dimensional hybrid lead iodide: crystal structure and properties","New Journal of Chemistry","2020","44","4","1263","1268","10.1039/C9NJ04316K","","","0.71073","MoKα","","0.0436","0.0305","","","0.0544","0.0575","","","","","","1.08","","","","has coordinates,has disorder","257732","2020-10-21","18:00:00",""
"7059744","11.8148","0.0005","11.3729","0.0005","11.8979","0.0008","90","","106.398","0.002","90","","1533.67","0.14","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 La O9 -","- C12 H4 F6 La O9 -","- C48 H16 F24 La4 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0215","0.0203","","","0.0559","0.0566","","","","","","1.245","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059745","11.7587","0.0007","11.3554","0.0007","11.9289","0.0011","90","","106.93","0.011","90","","1523.8","0.2","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 O9 Pr -","- C12 H4 F6 O9 Pr -","- C48 H16 F24 O36 Pr4 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0208","0.019","","","0.0433","0.0441","","","","","","1.08","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059746","11.7314","0.0004","11.3436","0.0004","11.936","0.0006","90","","107.15","0.007","90","","1517.77","0.12","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 Nd O9 -","- C12 H4 F6 Nd O9 -","- C48 H16 F24 Nd4 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0156","0.0152","","","0.0395","0.0397","","","","","","1.177","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059747","11.6844","0.0009","11.2772","0.0005","11.8934","0.0006","90","","107.051","0.008","90","","1498.28","0.17","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 O9 Sm -","- C12 H4 F6 O9 Sm -","- C48 H16 F24 O36 Sm4 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0236","0.0214","","","0.0537","0.0547","","","","","","1.059","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059748","11.7966","0.0013","11.3785","0.0011","11.9288","0.0013","90","","106.795","0.002","90","","1532.9","0.3","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 Ce F6 O9 -","- C12 H4 Ce F6 O9 -","- C48 H16 Ce4 F24 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0188","0.0183","","","0.0429","0.0431","","","","","","1.027","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059749","11.65","0.004","11.283","0.003","11.966","0.004","90","","107.656","0.006","90","","1498.8","0.8","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 Eu F6 O9 -","- C12 H4 Eu F6 O9 -","- C48 H16 Eu4 F24 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0172","0.0161","","","0.0385","0.0389","","","","","","1.122","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059750","11.6039","0.0012","11.2358","0.0012","11.9986","0.0019","90","","108.027","0.001","90","","1487.6","0.3","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 O9 Tb -","- C12 H4 F6 O9 Tb -","- C48 H16 F24 O36 Tb4 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0321","0.0274","","","0.0517","0.0534","","","","","","1.052","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059751","11.5557","0.0007","11.1689","0.0007","12.0722","0.0011","90","","108.475","0.012","90","","1477.8","0.2","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 Er F6 O9 -","- C12 H4 Er F6 O9 -","- C48 H16 Er4 F24 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.02","0.0194","","","0.0476","0.0479","","","","","","1.135","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059752","11.5862","0.0012","11.2209","0.0007","12.0224","0.0008","90","","108.174","0.001","90","","1485","0.2","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 Dy F6 O9 -","- C12 H4 Dy F6 O9 -","- C48 H16 Dy4 F24 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0147","0.0136","","","0.0337","0.0342","","","","","","1.063","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059754","11.5655","0.0007","11.198","0.0004","12.0457","0.0005","90","","108.321","0.006","90","","1480.97","0.13","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 Ho O9 -","- C12 H4 F6 Ho O9 -","- C48 H16 F24 Ho4 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0121","0.0117","","","0.03","0.0301","","","","","","1.099","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059755","11.5247","0.0003","11.12","0.0002","12.1254","0.0003","90","","108.868","0.001","90","","1470.43","0.06","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H4 F6 O9 Tm -","- C12 H4 F6 O9 Tm -","- C48 H16 F24 O36 Tm4 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0259","0.0233","","","0.0472","0.0484","","","","","","1.069","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059756","11.6277","0.0008","11.2649","0.0005","11.9648","0.0005","90","","107.745","0.006","90","","1492.64","0.15","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 Gd O9 -","- C12 H4 F6 Gd O9 -","- C48 H16 F24 Gd4 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0166","0.0157","","","0.0379","0.0384","","","","","","1.06","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7061548","12.7503","0.0003","6.96314","0.00016","22.1399","0.0005","90","","91.18","0.002","90","","1965.21","0.08","173","2","173.15","","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C8 H29 Cl2 Co N6 O7 -","- C8 H23 Cl2 Co N6 O4 -","- C32 H92 Cl8 Co4 N24 O16 -","4","0.5","","Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G.","Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations","New Journal of Chemistry","2022","46","23","11404","11421","10.1039/D2NJ01655A","","","0.71073","MoKα","","0.0426","0.0332","","","0.0809","0.0888","","","","","","1.0388","","","","has coordinates","276663","2022-07-06","08:28:27",""
"7100447","11.919","0.002","22.044","0.004","13.385","0.002","90","","96.863","0.004","90","","3491.6","1","150","2","150","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C60 H68 Cl3 Mn3 N10 O19 -","- C60 H68 Cl3 Mn3 N10 O19 -","- C120 H136 Cl6 Mn6 N20 O38 -","2","0.25","","Euan Brechin; George Christou; Muralee Murugesu; S. Parsons; Richard T. W. Scott; Wolfgang Wernsdorfer","Synthesis, Structure and Magnetic Properties of a Trinuclear [MnIIIMnII2] Single-Molecule Magnet","Chemical Communications","2005","","","","","10.1039/b501504a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180106","2020-10-21","18:00:00",""
"7101814","9.7976","0.0012","14.057","0.003","14.7122","0.0016","90","","104.18","0.016","90","","1964.5","0.5","300","2","300","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C26 H63.84 Cl2 Cu2 Fe K0.08 N14 O3.92 -","- C26 H48 Cl2 Cu2 Fe K0.32 N14 O3.68 -","- C52 H96 Cl4 Cu4 Fe2 K0.64 N28 O7.36 -","2","0.25","","Mukhopadhyay, Uday; Grunert, C Matthias; Kusz, Joachim; Reiman, Sergey; Gütlich, P; Bernal, Ivan","57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O.","Chemical communications (Cambridge, England)","2007","","14","1444","1446","10.1039/b615130b","","","0.71073","MoKα","","0.0871","0.0557","","","0.1262","0.1495","","","","","","1.226","","","","has coordinates,has disorder","180120","2020-10-21","18:00:00",""
"7101815","9.791","0.002","14.033","0.005","14.675","0.002","90","","104.16","0.02","90","","1955","0.9","250","2","250","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C26 H63.84 Cl2 Cu2 Fe K0.08 N14 O3.92 -","- C26 H48 Cl2 Cu2 Fe K0.32 N14 O3.68 -","- C52 H96 Cl4 Cu4 Fe2 K0.64 N28 O7.36 -","2","0.25","","Mukhopadhyay, Uday; Grunert, C Matthias; Kusz, Joachim; Reiman, Sergey; Gütlich, P; Bernal, Ivan","57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O.","Chemical communications (Cambridge, England)","2007","","14","1444","1446","10.1039/b615130b","","","0.71073","MoKα","","0.088","0.0552","","","0.1265","0.1519","","","","","","1.209","","","","has coordinates,has disorder","180120","2020-10-21","18:00:00",""
"7101816","9.786","0.002","13.998","0.005","14.643","0.002","90","","104.17","0.02","90","","1944.8","0.8","200","2","200","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C26 H63.84 Cl2 Cu2 Fe K0.08 N14 O3.92 -","- C26 H48 Cl2 Cu2 Fe K0.32 N14 O3.68 -","- C52 H96 Cl4 Cu4 Fe2 K0.64 N28 O7.36 -","2","0.25","","Mukhopadhyay, Uday; Grunert, C Matthias; Kusz, Joachim; Reiman, Sergey; Gütlich, P; Bernal, Ivan","57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O.","Chemical communications (Cambridge, England)","2007","","14","1444","1446","10.1039/b615130b","","","0.71073","MoKα","","0.0718","0.052","","","0.1247","0.1408","","","","","","1.187","","","","has coordinates,has disorder","180120","2020-10-21","18:00:00",""
"7101817","9.7836","0.0018","13.967","0.005","14.6155","0.0016","90","","104.11","0.02","90","","1936.9","0.8","150","2","150","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C26 H63.84 Cl2 Cu2 Fe K0.08 N14 O3.92 -","- C26 H48 Cl2 Cu2 Fe K0.32 N14 O3.68 -","- C52 H96 Cl4 Cu4 Fe2 K0.64 N28 O7.36 -","2","0.25","","Mukhopadhyay, Uday; Grunert, C Matthias; Kusz, Joachim; Reiman, Sergey; Gütlich, P; Bernal, Ivan","57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O.","Chemical communications (Cambridge, England)","2007","","14","1444","1446","10.1039/b615130b","","","0.71073","MoKα","","0.0577","0.0463","","","0.1111","0.1195","","","","","","1.181","","","","has coordinates,has disorder","180120","2020-10-21","18:00:00",""
"7101818","9.8104","0.0012","13.967","0.003","14.6291","0.0016","90","","103.93","0.016","90","","1945.6","0.5","90","2","90","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C26 H63.84 Cl2 Cu2 Fe K0.08 N14 O3.92 -","- C26 H48 Cl2 Cu2 Fe K0.32 N14 O3.68 -","- C52 H96 Cl4 Cu4 Fe2 K0.64 N28 O7.36 -","2","0.25","","Mukhopadhyay, Uday; Grunert, C Matthias; Kusz, Joachim; Reiman, Sergey; Gütlich, P; Bernal, Ivan","57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O.","Chemical communications (Cambridge, England)","2007","","14","1444","1446","10.1039/b615130b","","","0.71073","MoKα","","0.0636","0.0606","","","0.1758","0.179","","","","","","1.142","","","","has coordinates,has disorder","180120","2020-10-21","18:00:00",""
"7114170","13.4386","0.0017","7.4128","0.001","19.479","0.003","90","","97.153","0.003","90","","1925.4","0.5","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","Cobalt(II)bisdimethylformamide Iron(II)Tetracyanodicarbonyl monohydrate ?","","- C12 H16 Co Fe N6 O5 -","- C12 H15 Co Fe N6 O5 -","- C48 H60 Co4 Fe4 N24 O20 -","4","0.5","","Jiang, Jianfeng; Koch, Stephen A.","Two-dimensional materials based on trans-[FeII(CN)4(CO)2]2??? building blocks; first structural evidence for a hydrated metal carbonyl ligation","Chemical Communications","2002","","16","1724","","10.1039/b200337f","","","0.71073","MoKα","","0.0647","0.0437","","","0.1012","0.111","","","","","","0.969","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114171","13.4721","0.001","7.4905","0.0006","19.563","0.0015","90","","97.754","0.002","90","","1956.1","0.3","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","Iron(II)bisdimethylforamide Iron(II)tetracyanodicarbonyl monohydrate ?","","- C12 H16 Fe2 N6 O5 -","- C12 H14 Fe2 N6 O5 -","- C48 H56 Fe8 N24 O20 -","4","0.5","","Jiang, Jianfeng; Koch, Stephen A.","Two-dimensional materials based on trans-[FeII(CN)4(CO)2]2??? building blocks; first structural evidence for a hydrated metal carbonyl ligation","Chemical Communications","2002","","16","1724","","10.1039/b200337f","","","0.71073","MoKα","","0.0419","0.0313","","","0.0789","0.0848","","","","","","1.037","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114550","7.647","0.003","12.3","0.004","8.734","0.003","90","","91.47","0.03","90","","821.2","0.5","298","2","298","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","[Mn(pyrimidine)(N3)2]n","","","- C4 H4 Mn N8 -","- C4 H4 Mn N8 -","- C16 H16 Mn4 N32 -","4","0.5","","Escuer, Albert; Vicente, Ramon; Mautner, Franz A.; Goher, Mohamed A. S.; Abu-Youssef, Morsy A. M.","[M(N3)2(L)]n: building 3-D MII‒azido networks with new topologies","Chemical Communications","2002","","1","64","","10.1039/b108812b","","","0.71069","MoKα","","0.0594","0.0501","","0.1401","0.1279","","","","1.066","1.075","1.075","","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114713","9.4442","0.0017","15.449","0.003","9.5719","0.0017","90","","93.268","0.003","90","","1394.3","0.4","193","2","193","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C16 H40 N4 O52 P8 U10 -","- C16 H40 N4 O52 P8 U10 -","- C16 H40 N4 O52 P8 U10 -","1","0.125","","Danis, Janet A.; Runde, Wolfgang H.; Scott, Brian; Fettinger, James; Eichhorn, Bryan","Hydrothermal synthesis of the first organically templated open-framework uranium phosphate","Chemical Communications","2001","","22","2378","","10.1039/b106916k","","","0.71073","MoKα","","0.0619","0.0429","","","0.107","0.1133","","","","","","1.067","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7125806","15.6419","0.0011","6.7683","0.0005","25.762","0.003","90","","100.258","0.005","90","","2683.8","0.4","296","2","296","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","C20 H18 N4 S4, Cl4 Ga","","- C20 H18 Cl4 Ga N4 S4 -","- C20 H18.5 Cl4 Ga N4 S4 -","- C80 H74 Cl16 Ga4 N16 S16 -","4","0.5","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.1219","0.0961","","","0.2633","0.2951","","","","","","1.044","","","","has coordinates,has disorder","247589","2020-10-21","18:00:00",""
"7125958","23.8078","0.0008","25.26","0.0006","25.4589","0.0009","90","","114.84","0.004","90","","13894.1","0.9","150","0.1","150","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C106 H130 B4 N24 O8 W4 -","- C106 H130 B4 N24 O8 W4 -","- C424 H520 B16 N96 O32 W16 -","4","0.5","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0642","0.0523","","","0.1385","0.1497","","","","","","1.026","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7128015","20.6147","0.0005","28.8773","0.0009","22.9058","0.001","90","","96.475","0.003","90","","13548.8","0.8","173","2","173","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C36 H286 Cl4 Co12 Gd36 N20 Na6 O260 -","- C36 H132 Cl6 Co12 Gd36 N O183 -","- C72 H264 Cl12 Co24 Gd72 N2 O366 -","2","0.25","","Chen, Rong; Chen, Chao-Long; Du, Ming-Hao; Wang, Xing; Wang, Cheng; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun","Soluble lanthanide-transition-metal clusters Ln<sub>36</sub>Co<sub>12</sub> as effective molecular electrocatalysts for water oxidation.","Chemical communications (Cambridge, England)","2021","57","29","3611","3614","10.1039/d0cc08132a","","","1.54184","CuKα","","0.1246","0.1067","","","0.298","0.3092","","","","","","1.084","","","","has coordinates","264855","2021-05-05","08:00:22",""
"7128018","20.7166","0.0004","28.7371","0.0006","22.7267","0.0005","90","","97.129","0.002","90","","13425.4","0.5","173","2","173","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C36 H286 Cl4 Co12 Dy36 N20 Na6 O260 -","- C38 H108 Cl2 Co12 Dy36 N13 O224 -","- C76 H216 Cl4 Co24 Dy72 N26 O448 -","2","0.25","","Chen, Rong; Chen, Chao-Long; Du, Ming-Hao; Wang, Xing; Wang, Cheng; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun","Soluble lanthanide-transition-metal clusters Ln<sub>36</sub>Co<sub>12</sub> as effective molecular electrocatalysts for water oxidation.","Chemical communications (Cambridge, England)","2021","57","29","3611","3614","10.1039/d0cc08132a","","","1.54184","CuKα","","0.0784","0.0647","","","0.1831","0.191","","","","","","1.109","","","","has coordinates,has disorder","264855","2021-05-05","08:00:32",""
"7130644","7.5209","0.0013","16.657","0.002","13.686","0.002","90","","93.262","0.01","90","","1711.7","0.4","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C10 H10 Bi Br3 N2 -","- C10 H10 Bi Br3 N2 -","- C40 H40 Bi4 Br12 N8 -","4","0.5","","Ramler, Jacqueline; Stoy, Andreas; Preitschopf, Tobias; Kettner, Janosch; Fischer, Ingo; Roling, Bernhard; Fantuzzi, Felipe; Lichtenberg, Crispin","Dihalo bismuth cations: unusual coordination properties and inverse solvent effects in Lewis acidity.","Chemical communications (Cambridge, England)","2022","58","70","9826","9829","10.1039/d2cc04017d","","","0.71073","MoKα","","0.0137","0.0135","","","0.0378","0.0379","","","","","","1.022","","","","has coordinates","277617","2022-09-05","02:17:32",""
"7130753","16.0043","0.0013","23.0932","0.0017","16.3664","0.0017","90","","112.481","0.011","90","","5589.2","1","99.98","0.15","99.98","0.15","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C42.59 H30 Cd3 F1.18 N12 -","- C42.588 H30 Cd3 F1.176 N12 -","- C170.352 H120 Cd12 F4.704 N48 -","4","0.5","","Halder, Arijit; Klein, Ryan A.; Lively, Rachel; McGuirk, C. Michael","Multivariate zeolitic imidazolate frameworks with an inverting trend in flexibility","Chemical Communications","2022","","","","","10.1039/D2CC04362A","","x-ray","1.54184","CuKα","","0.1418","0.1087","","","0.3121","0.3411","","","","","","1.138","","","","has coordinates,has disorder","278087","2022-09-22","21:53:29",""
"7130754","16.201","0.0013","23.0159","0.0019","16.2213","0.0016","90","","113.343","0.01","90","","5553.5","0.9","99.99","0.18","99.99","0.18","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C82.98 H48.94 Cd6 F1.96 N24 -","- C82.972 H48.916 Cd6 F1.944 N24 -","- C165.944 H97.832 Cd12 F3.888 N48 -","2","0.25","","Halder, Arijit; Klein, Ryan A.; Lively, Rachel; McGuirk, C. Michael","Multivariate zeolitic imidazolate frameworks with an inverting trend in flexibility","Chemical Communications","2022","","","","","10.1039/D2CC04362A","","x-ray","1.54184","CuKα","","0.1896","0.1411","","","0.3979","0.4508","","","","","","1.335","","","","has coordinates","278087","2022-09-22","21:53:29",""
"7132764","15.6408","0.0001","26.8262","0.0002","40.7797","0.0004","90","","90.156","0.001","90","","17110.4","0.2","149.99","0.1","149.99","0.1","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C141 H123 Ag4 Cd6 N7 O2 S16 -","- C135.5 H109 Ag4 Cd6 N5 S16 -","- C542 H436 Ag16 Cd24 N20 S64 -","4","0.5","","Li, Yan-Ling; Liu, Yu-Dong; Li, Wei-Li; Li, Fu-An; Feng, Yun-Xiao; Luo, Xiao-Qiang; Han, Yong-Jun","Ligand engineering to achieve synergistic properties in a 2D bilayer supertetrahedral chalcogenide cluster-based assembled material.","Chemical communications (Cambridge, England)","2024","60","24","3279","3282","10.1039/d3cc05726g","","x-ray","1.54184","CuKα","","0.1031","0.0948","","","0.2929","0.3031","","","","","","1.027","","","","has coordinates,has disorder","290811","2024-04-04","22:28:06",""
"7155391","7.5252","0.0007","24.2334","0.0017","15.7891","0.0016","90","","90.167","0.004","90","","2879.3","0.4","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C43 H9 F19 N4 O3 -","- C43 H9 F19 N4 O3 -","- C86 H18 F38 N8 O6 -","2","0.25","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.1481","0.1288","","","0.3683","0.3961","","","","","","1.477","","","","has coordinates,has disorder","209173","2020-10-21","18:00:00",""
"7208387","23.062","0.005","32.711","0.007","23.936","0.005","90","","96.77","0.03","90","","17931","7","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","SU-72","","","- C63.33 H273.22 Ge85 N38 O218 -","- C12 H36 Ge85 N12 O218 -","- C24 H72 Ge170 N24 O436 -","2","0.25","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","","","0.2361","0.0995","","","0.239","0.2691","","","","","","1.073","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7210014","14.8152","0.0019","9.6353","0.0018","7.0405","0.0009","90","","93.194","0.011","90","","1003.5","0.3","100","2","100","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C12 H18 N18 O6 -","- C12 H18 N18 O6 -","- C24 H36 N36 O12 -","2","0.25","","Prior, Timothy J.; Armstrong, Jennifer A.; Benoit, David M.; Marshall, Kayleigh L.","The structure of the melamine‒cyanuric acid co-crystal","CrystEngComm","2013","15","29","5838","","10.1039/c3ce40709h","","","0.71073","MoKα","","0.0727","0.0353","","","0.0898","0.1047","","","","","","0.957","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7219224","8.4112","0.0005","6.8339","0.0005","13.2136","0.0008","90","","96.514","0.006","90","","754.63","0.09","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C12 H14 Co F2 N2 O8 -","- C12 H14 Co F2 N2 O8 -","- C24 H28 Co2 F4 N4 O16 -","2","0.25","","Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.; Gu, Jinzhong; dou, wei","Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal-organic and supramolecular Ni, Co, and Cd networks","RSC Adv.","2015","","","","","10.1039/C4RA14534H","","","0.71","MoKα","","0.0424","0.0379","","","0.0962","0.1009","","","","","","1.002","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7223892","7.9","0.0011","6.6425","0.0011","8.0327","0.0011","90","","91.202","0.005","90","","421.43","0.11","293","2","293","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Fe S8 V4 -","- Fe S8 V4 -","- Fe2 S16 V8 -","2","0.25","","Sui, Lifang; Zhang, Xian; Tian, Zhangliu; Huang, Rongtie; Zhang, Hui; Cheng, Jinrong; Huang, Fu Qiang","Synthesis, Crystal Structure and Physical Properties of FeV4S8 and KFe2V8S16","RSC Adv.","2016","","","","","10.1039/C5RA22619H","","","0.71073","MoKα","","0.0412","0.0308","","","0.0642","0.0679","","","","","","1.074","","","","has coordinates","209173","2020-10-21","18:00:00",""
"7229961","15.8849","0.0008","18.9471","0.001","19.6812","0.0018","90","","90.063","0.002","90","","5923.5","0.7","90","2","90","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","{(e(N2C4H8)2C60)(Rh2(O2CCH3)4)2}n 0.5CS2","","","- C80.5 H34 N4 O12 Rh3 S -","- C80.5 H34 N4 O12 Rh3 S -","- C322 H136 N16 O48 Rh12 S4 -","4","0.5","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","The directional character of the piperazine double addition product, e{N(CH2CH2)2N}2C60, as a building block for forming crystalline fullerene polymers","CrystEngComm","2018","20","7","924","","10.1039/C7CE02117H","","","1.54178","CuKα","","0.0799","0.0762","","","0.2016","0.2055","","","","","","1.154","","","","has coordinates,has disorder","229072","2020-10-21","18:00:00",""
"7230217","7.8894","0.0016","14.316","0.003","13.494","0.003","90","","92.06","0.03","90","","1523.1","0.6","170","0.1","170","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C20 H12 Br4 Cl8 Cu2 N4 -","- C20 H12 Br4 Cl8 Cu2 N4 -","- C40 H24 Br8 Cl16 Cu4 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0259","0.0212","","","0.045","0.0466","","","","","","1.051","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230222","8.0829","0.0016","14.605","0.003","13.664","0.003","90","","91.89","0.03","90","","1612.2","0.6","170","0.1","170","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C20 H12 Cl8 Cu2 I4 N4 -","- C20 H12 Cl8 Cu2 I4 N4 -","- C40 H24 Cl16 Cu4 I8 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0215","0.0192","","","0.043","0.044","","","","","","1.067","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7232114","15.3925","0.0006","6.8374","0.0003","12.8802","0.0005","90","","93.087","0.003","90","","1353.61","0.1","296","2","296","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- C34 H28 N4 -","- C34 H28 N4 -","- C68 H56 N8 -","2","0.25","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","x-ray","1.54184","CuKα","","0.0572","0.046","","","0.149","0.1623","","","","","","1.126","","","","has coordinates","223594","2020-10-21","18:00:00",""
"7232359","11.4279","0.0013","11.6213","0.0013","11.4696","0.0018","90","","108.424","0.013","90","","1445.2","0.3","287","18","287","18","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14 H8 N5 O4 Zn -","- C14 H8 N5 O4 Zn -","- C56 H32 N20 O16 Zn4 -","4","0.5","","Zhang, Xiao; Zhuang, Xinrui; Zhang, Nanxi; Ge, Chunyu; Luo, Xuan; Li, Jinxue; Wu, Jie; Yang, Qingfeng; Liu, Rui","A luminescent sensor based on a Zn(ii) coordination polymer for selective and sensitive detection of NACs and Fe3+ ions","CrystEngComm","2019","21","12","1948","","10.1039/C9CE00068B","","x-ray","0.71073","MoKα","","0.0728","0.0693","","","0.1751","0.1785","","","","","","1.051","","","","has coordinates,has disorder","223729","2020-10-21","18:00:00",""
"7232605","3.7455","0.0003","10.533","0.0006","21.5313","0.0012","90","","94.556","0.006","90","","846.75","0.1","250","","250","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14 H18 B2 N2 O10 -","- C14 H18 B2 N2 O10 -","- C28 H36 B4 N4 O20 -","2","0.25","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0415","0.0375","","","0.1024","0.1059","","","","","","1.079","","","","has coordinates","223623","2020-10-21","18:00:00",""
"7232701","18.9313","0.0009","16.3839","0.0012","17.3825","0.001","90","","91.048","0.004","90","","5390.6","0.6","180","0.1","180","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C49 H21 Cl3 F20 N5 O4 -","- C49 H21 Cl3 F20 N5 O4 -","- C196 H84 Cl12 F80 N20 O16 -","4","0.5","","Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long","Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01177C","","x-ray","0.71073","MoKα","","0.1321","0.0954","","","0.2623","0.2963","","","","","","1.064","","","","has coordinates,has disorder","214895","2020-10-21","18:00:00",""
"7233308","17.5673","0.0003","25.7031","0.0005","24.4991","0.0004","90","","91.155","0.001","90","","11059.9","0.3","173","2","173","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C28 H15 In O8 -","- C28 H15 In O8 -","- C224 H120 In8 O64 -","8","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0681","0.0641","","","0.181","0.1874","","","","","","1.006","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7235088","11.388","0.0014","6.7307","0.0007","14.9009","0.0019","90","","109.96","0.014","90","","1073.5","0.2","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","[tetraaquabis(9-methyladenine-kN7)cobalt(II)] chloride dihydrate","","- C12 H26 Cl2 Co N10 O6 -","- C12 H26 Cl2 Co N10 O6 -","- C24 H52 Cl4 Co2 N20 O12 -","2","0.25","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.0287","0.026","","","0.06","0.0618","","","","","","1.07","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7237084","12.513","0.0013","14.1548","0.0018","17.6517","0.0018","90","","101.041","0.007","90","","3068.6","0.6","200","2","200","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C26 H44 Cl N3 Se2 -","- C26 H44 Cl N3 Se2 -","- C104 H176 Cl4 N12 Se8 -","4","0.5","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.1513","0.0909","","","0.1968","0.2367","","","","","","1.176","","","","has coordinates,has disorder","236811","2020-10-21","18:00:00",""
"7240563","19.8306","0.0005","27.6106","0.001","20.8093","0.0009","90","","91.117","0.003","90","","11391.7","0.7","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","Ag43","","- C166 H0.5 Ag43 F24 O28 S8 -","- C168 Ag43 F12 O24 S8 -","- C336 Ag86 F24 O48 S16 -","2","0.25","","Li, Ting; Cui, Xiaoqin; Liang, Linfeng; Luo, Cui; Li, Huan; Zhang, Xian-Ming","A triflate and alkynyl protected Ag43 nanocluster with a passivated surface","RSC Advances","2020","10","33","19397","19400","10.1039/D0RA01244K","","","1.54184","CuKα","","0.1479","0.1218","","","0.3819","0.4054","","","","","","1.463","","","","has coordinates,has disorder","258017","2020-10-21","18:00:00",""
"7240979","6.5218","0.001","17.636","0.002","10.0639","0.0014","90","","107.754","0.014","90","","1102.4","0.3","150.02","0.1","150.02","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","4-amino-2,3,5,6-tetrafluorobenzoic acid acetone solvate","","- C10 H9 F4 N O3 -","- C10 H9 F4 N O3 -","- C40 H36 F16 N4 O12 -","4","0.5","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.091","0.0672","","","0.1822","0.203","","","","","","1.103","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7243131","11.3588","0.0007","30.0187","0.001","12.2991","0.0008","90","","117.471","0.008","90","","3720.8","0.4","297.1","0.8","297.1","0.8","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14.5 H11.5 N1.5 Ni0.75 O6.62 -","- C14.5 H11.5 N1.5 Ni0.75 O6.625 -","- C116 H92 N12 Ni6 O53 -","8","1","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.1073","0.084","","","0.247","0.2646","","","","","","1.005","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7244890","15.5906","0.0007","23.349","0.0007","16.177","0.0009","90","","114.138","0.006","90","","5373.9","0.5","149.97","0.11","149.97","0.11","","","","","","","","5","I 1 2/m 1","-I 2y","12","","BQD-AP","","- C60 H63 N5 O2 Si2 -","- C60 H63 N5 O2 Si2 -","- C240 H252 N20 O8 Si8 -","4","0.5","","Zhou, Pengxin; Deng, Lanlan; Han, Zengtao; Zhao, Xiaolong; Zhang, Zhe; Huo, Shuhui","Benzo[de]isoquinoline-1,3-dione condensed asymmetric azaacenes as strong acceptors","RSC Advances","2022","12","21","13480","13486","10.1039/D2RA01074G","","x-ray","1.54184","CuKα","","0.1084","0.0861","","","0.2363","0.2589","","","","","","1.039","","","","has coordinates,has disorder","274906","2022-05-05","01:12:15",""
"7245924","12.7245","0.0014","13.5981","0.0019","19.076","0.003","90","","104.107","0.004","90","","3201.2","0.8","296","2","296.15","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C23 H16 Cd N7 O5 -","- C23 H16 Cd N7 O5 -","- C92 H64 Cd4 N28 O20 -","4","0.5","","Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling","Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties","CrystEngComm","2022","","","","","10.1039/D2CE01327D","","","0.71073","MoKα","","0.0976","0.0759","","","0.1927","0.2115","","","","","","1.005","","","","has coordinates,has disorder","279631","2022-11-29","23:35:37",""
"7247045","9.1981","0.0005","14.8394","0.0012","13.0755","0.0008","90","","102.642","0.006","90","","1741.5","0.2","123","","123","","","","","","","","","6","I 1 2/m 1","-I 2y","12","","TB037P.K","","- C16 H10 N O6 P W -","- C16 H10 N O6 P W -","- C64 H40 N4 O24 P4 W4 -","4","0.5","","Biskup, David; Bergmann, Tom; Schnakenburg, Gregor; Gomila, Rosa M.; Frontera, Antonio; Streubel, Rainer","Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination","RSC Advances","2023","13","31","21313","21317","10.1039/D3RA04352E","","","0.71073","MoKα","","0.0915","0.0768","","","0.2047","0.2165","","","","","","1.135","","","","has coordinates,has disorder","285216","2023-07-15","01:01:53",""
"7249336","11.8573","0.0009","6.2066","0.0005","15.9257","0.0012","90","","99.161","0.007","90","","1157.08","0.16","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C22 H14 F10 Hg O4 Pd -","- C22 H14 F10 Hg O4 Pd -","- C44 H28 F20 Hg2 O8 Pd2 -","2","0.25","","Rozhkov, Anton V.; tupikina, elena; Tugashov, Kirill I.; Kukushkin, Vadim Yu.","Pure Heterometallic Spodium Bonding","CrystEngComm","2024","","","","","10.1039/D4CE00825A","","x-ray","1.54184","CuKα","","0.0408","0.0405","","","0.1134","0.1137","","","","","","1.189","","","","has coordinates,has disorder","294760","2024-09-14","22:35:31",""
"7249337","11.8245","0.0003","6.2102","0.0002","15.9199","0.0004","90","","99.276","0.002","90","","1153.75","0.06","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C22 H14 F10 Hg O4 Pt -","- C22 H14 F10 Hg O4 Pt -","- C44 H28 F20 Hg2 O8 Pt2 -","2","0.25","","Rozhkov, Anton V.; tupikina, elena; Tugashov, Kirill I.; Kukushkin, Vadim Yu.","Pure Heterometallic Spodium Bonding","CrystEngComm","2024","","","","","10.1039/D4CE00825A","","x-ray","1.54184","CuKα","","0.0358","0.0348","","","0.0964","0.0981","","","","","","1.175","","","","has coordinates,has disorder","294760","2024-09-14","22:35:32",""
"7700900","13.6754","0.0006","9.8645","0.0003","20.0008","0.0008","90","","109.923","0.004","90","","2536.65","0.18","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C26 H21 Co N6 O6 -","- C26 H18 Co N6 O4 -","- C104 H72 Co4 N24 O16 -","4","0.5","","Mandal, Arnab; Ganguly, Sumi; Mukherjee, Somali; Das, Debasis","Green synthesis of nanoscale cobalt(ii)-based MOFs: highly efficient photo-induced green catalysts for the degradation of industrially used dyes.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13869","13879","10.1039/c9dt02394a","","","0.71073","MoKα","","0.0748","0.065","","","0.158","0.1649","","","","","","1.048","","","","has coordinates","224472","2020-10-21","18:00:00",""
"7701613","9.3019","0.0017","28.739","0.005","11.788","0.002","90","","103.534","0.014","90","","3063.7","0.9","150","2","150","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C27 H27 Co N6 O15.25 -","- C27 H28 Co N6 O15.25 -","- C108 H112 Co4 N24 O61 -","4","0.5","","Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei","Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10199","10209","10.1039/c9dt01050e","","","0.71073","MoKα","","0.1117","0.0794","","","0.1963","0.2125","","","","","","1.002","","","","has coordinates,has disorder","223319","2020-10-21","18:00:00",""
"7702079","8.6119","0.0006","7.1821","0.0005","9.3626","0.0008","90","","92.212","0.004","90","","578.66","0.08","298","","298","","","","","","","","","2","I 1 2/m 1","-I 2y","12","Niobium(IV) Tetrabromoide","Niobium(IV) Tetrabromoide","","- Br4 Nb -","- Br4 Nb -","- Br16 Nb4 -","4","0.5","","Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin","Niobium tetrahalide complexes with neutral diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8192","8200","10.1039/c6dt01099g","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.04651","","3.31","","","","","","","has coordinates","234732","2020-10-21","18:00:00",""
"7702170","9.6764","0.0002","16.2641","0.0003","24.5721","0.0004","90","","92.245","0.002","90","","3864.14","0.12","120","2","120","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C47 H37 Cl12 Er4 N6 O34 P2 -","- C47 H37 Cl12 Er4 N6 O34 P2 -","- C94 H74 Cl24 Er8 N12 O68 P4 -","2","0.25","","Benmansour, Samia; Pérez-Herráez, Irene; Cerezo-Navarrete, Christian; López-Martínez, Gustavo; Martínez Hernández, Cristian; Gómez-García, Carlos J","Solvent-modulation of the structure and dimensionality in lanthanoid-anilato coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6729","6741","10.1039/c8dt00143j","","","0.71073","MoKα","","0.0758","0.0714","","","0.1757","0.1777","","","","","","1.364","","","","has coordinates,has disorder","236820","2020-10-21","18:00:00",""
"7704071","10.7617","0.0007","17.7653","0.0009","10.9667","0.0007","90","","107.866","0.007","90","","1995.6","0.2","223","0.1","223","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C24 H60 Cl O18 V6 -","- C24 H60 Cl0.994 O18.006 V6 -","- C48 H120 Cl1.988 O36.012 V12 -","2","0.25","","Maiola, Michela L.; Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M.","Site-selective halogenation of mixed-valent vanadium oxide clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16184","16192","10.1039/d0dt01077d","","x-ray","1.54184","CuKα","","0.1006","0.0712","","","0.2043","0.2392","","","","","","1.04","","","","has coordinates,has disorder","260774","2021-01-07","06:27:16",""
"7704620","12.8708","0.0007","19.3357","0.0011","19.8511","0.0007","90","","104.852","0.004","90","","4775.2","0.4","120","0.1","120","0.1","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C28 H59.75 Br0.67 Cl3.33 Cu1.61 N12 O12.87 Pd2.39 -","- C28 H59.74 Br0.6666 Cl3.3333 Cu1.616 N12 O12.87 Pd2.384 -","- C112 H238.96 Br2.6664 Cl13.3332 Cu6.464 N48 O51.48 Pd9.536 -","4","0.5","","Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique","Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8614","8624","10.1039/d0dt01056a","","","0.71073","MoKα","","0.1078","0.0759","","","0.2041","0.2366","","","","","","1.031","","","","has coordinates,has disorder","253904","2020-10-21","18:00:00",""
"7705011","9.853","0.0002","31.8471","0.0006","20.0163","0.0004","90","","93.063","0.001","90","","6271.9","0.2","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C142 H174 F6 P2 Pt2 S4 -","- C142 H174 F6 P2 Pt2 S4 -","- C284 H348 F12 P4 Pt4 S8 -","2","0.25","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.017","0.0151","","","0.0365","0.0372","","","","","","1.072","","","","has coordinates","254791","2020-10-21","18:00:00",""
"7705506","8.816","0.0018","17.452","0.004","12.068","0.002","90","","100.2","0.03","90","","1827.4","0.7","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C38 H38 Ag2 F8 N4 O3 -","- C38 H38 Ag2 F8 N4 O3 -","- C76 H76 Ag4 F16 N8 O6 -","2","0.25","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0284","0.0282","","","0.0689","0.069","","","","","","1.055","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705813","13.1964","0.0004","18.9068","0.0006","18.3821","0.0006","90","","98.374","0.002","90","","4537.5","0.2","160","2","160","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C55.5 H88 Cu5 Dy4 N12 O33.5 -","- C50 H76 Cu5 Dy4 N10 O32 -","- C100 H152 Cu10 Dy8 N20 O64 -","2","0.25","","Dermitzaki, Despina; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Mayans, Julia; Stamatatos, Theocharis C.","Further synthetic investigation of the general lanthanoid(iii) [Ln(iii)]/copper(ii)/pyridine-2,6-dimethanol/carboxylate reaction system: {CuLn} coordination clusters (Ln = Dy, Tb, Ho) and their yttrium(iii) analogue.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","240","251","10.1039/d0dt03582c","","","0.71073","MoKα","","0.0418","0.0352","","","0.0906","0.0953","","","","","","1.058","","","","has coordinates,has disorder","261648","2021-02-04","23:09:49",""
"7707331","9.2484","0.0006","7.4882","0.0004","13.3648","0.0008","90","","98.81","0.006","90","","914.64","0.1","100","0.1","100","0.1","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- I4 O3 W2 -","- I4 O3 W2 -","- I16 O12 W8 -","4","0.5","","Löber, Manuel; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen","W<sub>2</sub>O<sub>3</sub>I<sub>4</sub> and WO<sub>2</sub>I<sub>2</sub>: metallic phases in the chemical transport reaction of tungsten.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6789","6792","10.1039/d1dt01212f","","x-ray","0.71073","MoKα","","0.0317","0.0297","","","0.0672","0.0684","","","","","","1.048","","","","has coordinates","266044","2021-06-05","18:42:23",""
"7707594","14.34035","0.00014","18.7171","0.0002","19.8559","0.0002","90","","96.1863","0.001","90","","5298.48","0.09","123","1","123","1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C80 H136 Br4 Cu8 N32 -","- C80 H136 Br4 Cu8 N32 -","- C160 H272 Br8 Cu16 N64 -","2","0.25","","Pitarch-Jarque, Javier; Jiménez, Hermas R; Kalenius, Elina; Blasco, Salvador; Lopera, Alberto; Clares, M. Paz; Rissanen, Kari; García-España, Enrique","Selective encapsulation of a chloride anion in a 1<i>H</i>-pyrazole Cu<sup>2+</sup> metallocage.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9010","9015","10.1039/d1dt01302e","","","0.71073","MoKα","","0.0519","0.0493","","","0.1402","0.1429","","","","","","1.035","","","","has coordinates,has disorder","268768","2021-09-06","11:13:25",""
"7708691","8.9461","0.0003","9.6604","0.0003","11.2084","0.0003","90","","105.229","0.003","90","","934.65","0.05","200","0.1","200","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C8 H18 Cl6 Mn N10 -","- C8 H18 Cl6 Mn N10 -","- C16 H36 Cl12 Mn2 N20 -","2","0.25","","Zhang, Yue; Chen, Dian; Jin, Kai-Hang; Zang, Shuang-Quan; Wang, Qing-Lun","Room-temperature phosphorescence of manganese-based metal halides","Dalton Transactions","2021","","","","","10.1039/D1DT03206B","","x-ray","1.54184","CuKα","","0.0384","0.0375","","","0.1024","0.1031","","","","","","1.029","","","","has coordinates","270276","2021-11-03","23:58:52",""
"7708841","14.9644","0.0003","28.2692","0.0005","17.0535","0.0004","90","","115.487","0.003","90","","6512.1","0.3","100","0.1","100","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C80 H78 O50 S19 Yb6 -","- C72 H36 O42 S15 Yb6 -","- C144 H72 O84 S30 Yb12 -","2","0.25","","Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan","Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties","Dalton Transactions","2021","","","","","10.1039/D1DT02515E","","x-ray","0.71073","MoKα","","0.0463","0.0445","","","0.1033","0.1043","","","","","","1.03","","","","has coordinates,has disorder","270703","2021-11-17","00:04:38",""
"7708842","15.0482","0.0004","28.3988","0.0005","17.05","0.0005","90","","115.635","0.003","90","","6569.1","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C80 H78 Er6 O50 S19 -","- C72 H35 Er6 O42 S15 -","- C144 H70 Er12 O84 S30 -","2","0.25","","Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan","Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties","Dalton Transactions","2021","","","","","10.1039/D1DT02515E","","x-ray","0.71073","MoKα","","0.0556","0.0525","","","0.1283","0.1308","","","","","","1.045","","","","has coordinates,has disorder","270703","2021-11-17","00:04:38",""
"7708843","14.9505","0.0004","28.1937","0.0006","17.1041","0.0006","90","","115.237","0.003","90","","6521.4","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C80 H78 Lu6 O50 S19 -","- C72 H36 Lu6 O42 S15 -","- C144 H72 Lu12 O84 S30 -","2","0.25","","Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan","Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties","Dalton Transactions","2021","","","","","10.1039/D1DT02515E","","x-ray","0.71073","MoKα","","0.0286","0.026","","","0.0719","0.0731","","","","","","1.045","","","","has coordinates,has disorder","270703","2021-11-17","00:04:38",""
"7708844","15","0.0008","28.3529","0.001","17.0305","0.0009","90","","115.549","0.006","90","","6534.7","0.6","99.99","0.1","99.99","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C80 H78 O50 S19 Tm6 -","- C72 H36 O42 S15 Tm6 -","- C144 H72 O84 S30 Tm12 -","2","0.25","","Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan","Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties","Dalton Transactions","2021","","","","","10.1039/D1DT02515E","","x-ray","0.71073","MoKα","","0.0519","0.0465","","","0.1199","0.1244","","","","","","1.047","","","","has coordinates,has disorder","270703","2021-11-17","00:04:38",""
"7710406","8.6597","0.0004","13.0778","0.0006","9.4","0.0005","90","","90.623","0.005","90","","1064.49","0.09","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C H12 Co N3 O6 P3 -","- C H12 Co N3 O6 P3 -","- C4 H48 Co4 N12 O24 P12 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Stefańska, Dagmara; Zaręba, Jan K.; Pikul, Adam","Structural, magnetic and photoluminescence properties of new hybrid hypophosphites: discovery of the first noncentrosymmetric and two cobalt-based members","Dalton Transactions","2022","","","","","10.1039/D2DT01212J","","x-ray","0.71073","MoKα","","0.0274","0.0231","","","0.0582","0.0615","","","","","","1.095","","","","has coordinates","275844","2022-06-06","22:57:23",""
"7714748","14.2719","0.0004","24.7697","0.0006","14.7213","0.0004","90","","96.862","0.003","90","","5166.9","0.2","100","0.1","100","10","","","","","","","","9","I 1 2/m 1","-I 2y","12","","","","- C44.5 H45 Ag2 Au Cl F12 N13 O0.5 P2 -","- C44.5 H45 Ag2 Au Cl F12 N13 O0.5 P2 -","- C178 H180 Ag8 Au4 Cl4 F48 N52 O2 P8 -","4","0.5","","Sahu, Priyanka; Jana, Narayan Ch; Barik, Sahadev; Kisan, Hemanta K.; Changotra, Avtar; Isab, Anvarhusein A.; Dinda, Joydev","Unexpected structural preference with metallophilic Ag-Au contacts in silver(I)-N-heterocyclic carbene cluster; experimental and theoretical approach.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1099","1104","10.1039/d3dt02551a","","x-ray","0.71073","MoKα","","0.0529","0.0427","","","0.0927","0.0959","","","","","","1.05","","","","has coordinates","289553","2024-02-04","12:11:56",""
"7716538","9.951","0.003","23.683","0.005","19.487","0.005","90","","101.8","0.014","90","","4495","2","120","","120.15","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C73 H86 Cl Mn2 N12 O19 Ru -","- C49 H30 Cl Mn2 N4 O11 Ru -","- C98 H60 Cl2 Mn4 N8 O22 Ru2 -","2","0.25","","Xiao, Xiang; Shen, Kesheng; Jing, Xu; Duan, Chunying","A Ru-porphyrin metal-organic framework with Mn<sup>2+</sup> paddlewheel nodes for the selective oxidation of C(sp<sup>3</sup>)-H bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12604","12609","10.1039/d4dt01332h","","","0.71073","MoKα","","0.0656","0.0538","","","0.1533","0.1644","","","","","","1.046","","","","has coordinates,has disorder","293866","2024-08-05","19:08:12",""
"8103512","10.594","","3.019","","10.299","","90","","88.98","","90","","329.344","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Fe O (O H) Cl0.227","","- Cl0.227 Fe H O2 -","- Cl0.2275 Fe O2 -","- Cl1.82 Fe8 O16 -","8","1","","Kilcoyne, S.H.; Lawrence, J.L.","The structure of iron dextran cores","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","666","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8105303","6.7377","0.0001","7.35","0.0001","14.8647","0.0002","90","","96.051","0.001","90","","732.03","0.018","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C2.5 H3.5 N1.5 Ni0.5 O0.5 -","- C2.5 H3.5 N1.5 Ni0.5 O0.5 -","- C20 H28 N12 Ni4 O4 -","8","1","","Yang, Shuang-Hua","The crystal structure of poly[bis(N,N-dimethylformamide-κ1 O)-tetrakis(μ2-cyanido-κ2 C:N)dinickel(II)], C10H14N6O2Ni2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","841","843","10.1515/ncrs-2020-0043","","x-ray","1.54184","CuKα","","0.0351","0.0314","","","0.0975","0.0996","","","","","","1.21","","","","has coordinates","275544","2022-05-19","09:02:33",""
"9000382","10.118","","15.187","","6.626","","90","","100.67","","90","","1000.56","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","Scawtite","- C H4 Ca7 O23 Si6 -","- C H4 Ca7 O23 Si6 -","- C2 H8 Ca14 O46 Si12 -","2","0.25","","Pluth, J. J.; Smith, J. V.","The crystal structure of scawtite Note sample is from Crestmore, California, USA","American Mineralogist","1973","58","","1097","1097","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000893","9.938","","17.952","","5.258","","90","","106.62","","90","","898.874","","","","297.15","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","Fluororichterite","- Ca2 F2 K4 Mg5 Na2 O22 Si8 -","- Ca2 F2 K4 Mg5 Na2 O22 Si8 -","- Ca4 F4 K8 Mg10 Na4 O44 Si16 -","2","0.25","","Cameron, M.; Sueno, S.; Papike, J. J.; Prewitt, C. T.","High temperature crystal chemistry of K and Na fluor-richterites Na, 24 deg C","American Mineralogist","1983","68","","924","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000894","9.979","","18.036","","5.27","","90","","106.71","","90","","908.448","","","","673.15","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","Fluororichterite","- Ca2 F2 K4 Mg5 Na2 O22 Si8 -","- Ca2 F2 K4 Mg5 Na2 O22 Si8 -","- Ca4 F4 K8 Mg10 Na4 O44 Si16 -","2","0.25","","Cameron, M.; Sueno, S.; Papike, J. J.; Prewitt, C. T.","High temperature crystal chemistry of K and Na fluor-richterites Na fluor-richterite 400C","American Mineralogist","1983","68","","924","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000895","10.008","","18.087","","5.278","","90","","106.69","","90","","915.147","","","","873.15","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","Fluororichterite","- Ca2 F2 K4 Mg5 Na2 O22 Si8 -","- Ca2 F2 K4 Mg5 Na2 O22 Si8 -","- Ca4 F4 K8 Mg10 Na4 O44 Si16 -","2","0.25","","Cameron, M.; Sueno, S.; Papike, J. J.; Prewitt, C. T.","High temperature crystal chemistry of K and Na fluor-richterites Na fluor-richterite 600C","American Mineralogist","1983","68","","924","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000896","10.032","","18.131","","5.284","","90","","106.7","","90","","920.571","","","","1073.15","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","Fluororichterite","- Ca2 F2 K4 Mg5 Na2 O22 Si8 -","- Ca2 F2 K4 Mg5 Na2 O22 Si8 -","- Ca4 F4 K8 Mg10 Na4 O44 Si16 -","2","0.25","","Cameron, M.; Sueno, S.; Papike, J. J.; Prewitt, C. T.","High temperature crystal chemistry of K and Na fluor-richterites Na fluor-richterite 800C","American Mineralogist","1983","68","","924","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000897","10.043","","18.149","","5.286","","90","","106.69","","90","","922.892","","","","1173.15","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","Fluororichterite","- Ca2 F2 K4 Mg5 Na2 O22 Si8 -","- Ca2 F2 K4 Mg5 Na2 O22 Si8 -","- Ca4 F4 K8 Mg10 Na4 O44 Si16 -","2","0.25","","Cameron, M.; Sueno, S.; Papike, J. J.; Prewitt, C. T.","High temperature crystal chemistry of K and Na fluor-richterites Na fluor-richterite 900C","American Mineralogist","1983","68","","924","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000898","9.992","","17.972","","5.26","","90","","105.8","","90","","908.883","","","","297.15","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","Fluororichterite","- Ca2 F2 K2 Mg5 Na2 O22 Si8 -","- Ca2 F2 K2 Mg5 Na2 O22 Si8 -","- Ca4 F4 K4 Mg10 Na4 O44 Si16 -","2","0.25","","Cameron, M.; Sueno, S.; Papike, J. J.; Prewitt, C. T.","High temperature crystal chemistry of K and Na fluor-richterites K fluor-richterite 24C","American Mineralogist","1983","68","","924","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000899","10.041","","18.056","","5.272","","90","","105.83","","90","","919.566","","","","673.15","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","Fluororichterite","- Ca2 F2 K2 Mg5 Na2 O22 Si8 -","- Ca2 F2 K2 Mg5 Na2 O22 Si8 -","- Ca4 F4 K4 Mg10 Na4 O44 Si16 -","2","0.25","","Cameron, M.; Sueno, S.; Papike, J. J.; Prewitt, C. T.","High temperature crystal chemistry of K and Na fluor-richterites K fluor-richterite 400C","American Mineralogist","1983","68","","924","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000900","10.07","","18.106","","5.278","","90","","105.83","","90","","925.828","","","","873.15","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","Fluororichterite","- Ca2 F2 K2 Mg5 Na2 O22 Si8 -","- Ca2 F2 K2 Mg5 Na2 O22 Si8 -","- Ca4 F4 K4 Mg10 Na4 O44 Si16 -","2","0.25","","Cameron, M.; Sueno, S.; Papike, J. J.; Prewitt, C. T.","High temperature crystal chemistry of K and Na fluor-richterites K fluor-richterite 600C","American Mineralogist","1983","68","","924","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000901","10.104","","18.159","","5.285","","90","","105.85","","90","","932.817","","","","1073.15","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","Fluororichterite","- Ca2 F2 K2 Mg5 Na2 O22 Si8 -","- Ca2 F2 K2 Mg5 Na2 O22 Si8 -","- Ca4 F4 K4 Mg10 Na4 O44 Si16 -","2","0.25","","Cameron, M.; Sueno, S.; Papike, J. J.; Prewitt, C. T.","High temperature crystal chemistry of K and Na fluor-richterites K fluor-richterite 800C","American Mineralogist","1983","68","","924","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001235","9.938","","2.8678","","9.834","","90","","90.39","","90","","280.264","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","Coronadite","- Mn2 O4 Pb0.268 -","- Mn2 O4 Pb0.268 -","- Mn8 O16 Pb1.072 -","4","0.5","","Post, J. E.; Bish, D. L.","Rietveld refinement of the coronadite structure sample from Morocco","American Mineralogist","1989","74","","913","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001236","9.913","","2.8652","","9.843","","90","","90.2","","90","","279.566","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","Coronadite","- Mn2 O4 Pb0.35 -","- Mn2 O4 Pb0.35 -","- Mn8 O16 Pb1.4 -","4","0.5","","Post, J. E.; Bish, D. L.","Rietveld refinement of the coronadite structure sample from Broken Hill","American Mineralogist","1989","74","","913","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001319","10.6","","3.0339","","10.513","","90","","90.24","","90","","338.088","","","","","","","","","","","","corrosion crust on the Camp del Cielo meteorite","3","I 1 2/m 1","-I 2y","12","","","Akaganeite","- Cl0.675 Fe4 O8 -","- Cl0.675 Fe4 O8 -","- Cl1.35 Fe8 O16 -","2","0.25","","Post, J. E.; Buchwald, V. F.","Crystal structure refinement of akaganeite","American Mineralogist","1991","76","","272","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:13:11",""
"9002990","10.587","","3.0311","","10.515","","90","","90.03","","90","","337.429","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","Akaganeite","- Cl0.42 Fe2 H2.32 O4 -","- Cl0.42 Fe2 H2.32 O4 -","- Cl1.68 Fe8 H9.28 O16 -","4","0.5","","Post, J. E.; Heaney, P. J.; Von Dreele, R. B.; Hanson, J. C.","Neutron and temperature-resolved synchrotron X-ray powder diffraction study of akaganeite","American Mineralogist","2003","88","","782","788","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9003564","14.2446","","13.7884","","15.5","","90","","116.709","","90","","2719.53","","","","","","","","","","","","Khibiny alkaline complex, Kola peninsula, Russia","8","I 1 2/m 1","-I 2y","12","","","Lemmleinite-Ba","- Ba2 H24 K4 Mn Na4 O66 Si16 Ti8 -","- Ba2 H24 K4 Mn Na4 O66 Si16 Ti8 -","- Ba4 H48 K8 Mn2 Na8 O132 Si32 Ti16 -","2","0.25","","Armbruster, T.; Krivovichev, S. V.; Weber, T.; Gnos, E.; Organova, N. N.; Yakovenchuk, V. N.","Origin of diffuse superstructure reflections in labuntsovite-group minerals Note: Predicted ordered structure","American Mineralogist","2004","89","","1655","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9004891","6.9656","","20.3768","","6.9775","","90","","91.019","","90","","990.206","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- H20 Mn O22 P2 U2 -","- H20 Mn O22 P2 U2 -","- H40 Mn2 O44 P4 U4 -","2","0.25","","Locock, A. J.; Burns, P. C.; Flynn, M.","Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MnUP10","The Canadian Mineralogist","2004","42","","1699","1718","10.2113/gscanmin.42.6.1699","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005738","21.336","","3.0679","","5.8744","","90","","98.06","","90","","380.721","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Fe3.5 O5 Si0.5 -","- Fe3.5 O5 Si0.5 -","- Fe14 O20 Si2 -","4","0.5","","Van Aken, P. A.; Miehe, G.; Woodland, A. B.; Angel, R. J.","Crystal structure and cation distribution in Fe7SiO10 (""Iscorite"")","European Journal of Mineralogy","2005","17","","723","731","10.1127/0935-1221/2005/0017-0723","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007442","5.694","","3.428","","11.272","","90","","91.5","","90","","219.943","","","","","","","","","","","","Synthetic","2","I 1 2/m 1","-I 2y","12","","","Brezinaite","- Cr3 S4 -","- Cr3 S4 -","- Cr6 S8 -","2","0.25","","Jellinek, F.","The structures of the chromium sulphides","Acta Crystallographica","1957","10","","620","628","10.1107/S0365110X57002200","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007647","9.956","","2.8705","","9.706","","90","","90.95","","90","","277.347","","","","","","","","","","","","Chindwara, India","7","I 1 2/m 1","-I 2y","12","","","Cryptomelane","- Al0.08 Fe0.16 K0.65 Mn3.76 Na0.11 O8 Sr0.08 -","- Al0.08 Fe0.16 K0.65 Mn3.76 Na0.11 O8 Sr0.08 -","- Al0.16 Fe0.32 K1.3 Mn7.52 Na0.22 O16 Sr0.16 -","2","0.25","","Post, J. E.; Von Dreele, R. B.; Buseck, P. R.","Symmetry and cation displacements in hollandites: structure refinements of hollandite, cryptomelane and priderite Note: -1M polytype Note: Anisotropic displacement factors from ICSD","Acta Crystallographica, Section B","1982","38","","1056","1065","10.1107/S0567740882004968","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007648","10.026","","2.8782","","9.729","","90","","91.03","","90","","280.703","","","","","","","","","","","","Stuor Njuoskes, Sweden","6","I 1 2/m 1","-I 2y","12","","","Hollandite","- Al0.12 Ba0.34 Fe0.64 Mn3.24 O8 Pb0.08 -","- Al0.12 Ba0.34 Fe0.64 Mn3.24 O8 Pb0.08 -","- Al0.24 Ba0.68 Fe1.28 Mn6.48 O16 Pb0.16 -","2","0.25","","Post, J. E.; Von Dreele, R. B.; Buseck, P. R.","Symmetry and cation displacements in hollandites: structure refinements of hollandite, cryptomelane and priderite Note: Anisotropic displacement factors from ICSD","Acta Crystallographica, Section B","1982","38","","1056","1065","10.1107/S0567740882004968","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007757","23.698","","3.98","","24.466","","90","","93.9","","90","","2302.24","","","","","","","","","","","","Synthetic","3","I 1 2/m 1","-I 2y","12","","","Robinsonite","- Pb5.05 S13 Sb4.95 -","- Pb5.05 S13 Sb4.95 -","- Pb20.2 S52 Sb19.8 -","4","0.5","","Skowron, A.; Brown, I. D.","Refinement of the structure of robinsonite, Pb4Sb6S13","Acta Crystallographica, Section C","1990","46","","527","731","10.1107/S0108270189008322","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009245","6.19","","3.633","","10.45","","90","","90.05","","90","","235.002","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","Wilkmanite","- Ni3 Se4 -","- Ni3 Se4 -","- Ni6 Se8 -","2","0.25","","Hiller, J. E.; Wegener, W.","Untersuchungen im system nickel-selen","Neues Jahrbuch fur Mineralogie, Abhandlungen","1960","94","","1147","1159","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009476","12.261","","6.561","","11.757","","90","","116.19","","90","","848.686","","","","","","","","","","","","Francon quarry, Montreal, Quebec, Canada","6","I 1 2/m 1","-I 2y","12","","","Voggite","- C H5 Na2 O10 P Zr -","- C H5 Na2 O10 P Zr -","- C4 H20 Na8 O40 P4 Zr4 -","4","0.5","","Szymanski, J. T.; Roberts, A. C.","The crystal structure of voggite, a new hydrated Na-Zr hydroxide-phosphate-carbonate mineral","Mineralogical Magazine","1990","54","","495","500","10.1180/minmag.1990.054.376.14","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009727","10.006","","2.866","","9.746","","90","","91.17","","90","","279.43","","","","","","","","","","","","Gowari Wadhona, India","5","I 1 2/m 1","-I 2y","12","","","Hollandite","- Ba0.75 Fe0.08 K0.19 Mn3.92 O8 -","- Ba0.75 Fe0.08 K0.19 Mn3.92 O8 -","- Ba1.5 Fe0.16 K0.38 Mn7.84 O16 -","2","0.25","","Miura, H.","The crystal structure of hollandite","Mineralogical Journal","1986","13","","119","129","10.2465/minerj.13.119","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009810","10.4399","","3.0626","","9.2135","","90","","95.262","","90","","293.344","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- O4 Rh2 Sr0.375 -","- O4 Rh2 Sr0.375 -","- O16 Rh8 Sr1.5 -","4","0.5","","Plaisier, J. R.; Van Vliet, A. A. C.; IJdo D J W","Synthesis, structure and magnetic properties of a new hollandite: Sr0.75Rh4O8 Note: Hollandite-type structure","Journal of Alloys and Compounds","2001","314","","56","61","10.1016/S0925-8388(00)01208-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010411","5.6807","","11.5243","","8.2515","","90","","90.09","","90","","540.193","","","","","","","","","","","","","4","I 1 2/m 1","","","","","Wadsleyite","- H2 Mg1.864 O4.129 Si -","- H0.258 Mg1.864 O4.129 Si -","- H2.064 Mg14.912 O33.032 Si8 -","8","1","","Holl, C. M.; Smyth, J. R.; Jacobsen, S. D.; Frost, D. J.","Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4) Locality: synthetic Sample: SS0401, 1.66 wt% H2O","American Mineralogist","2008","93","","598","607","10.2138/am.2008.2620","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9011517","14.17","","6.262","","12.999","","90","","113.05","","90","","1061.35","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","4","I 1 2/m 1","-I 2y","12","","","Chloromenite","- Cl6 Cu9 O14 Se4 -","- Cl6 Cu9 O14 Se4 -","- Cl12 Cu18 O28 Se8 -","2","0.25","","Krivovichev, S. V.; Filatov, S. K.; Semenova, T. F.; Rozhdestvenskaya, I. V.","Crystal chemistry of inorganic compounds based on chains of oxocentered tetrahedra I. Crystal structure of chloromenite, Cu~9~O~2~(SeO~3~)~4~Cl~6~","Zeitschrift f""ur Kristallographie","1998","213","12","645","649","10.1524/zkri.1998.213.12.645","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""
"9011584","13.46","","3.1","","18.17","","90","","91.6","","90","","757.866","","","","","","","","","","","","Crestmore, California, USA","4","I 1 2/m 1","-I 2y","12","","","Wightmanite","- B H13 Mg5 O10.4 -","- B H7.8 Mg5 O10.4 -","- B4 H31.2 Mg20 O41.6 -","4","0.5","","Moore, P. B.; Araki, T.","Wightmanite, Mg5(O)(OH)5(BO3)*nH2O, a natural drainpipe","Nature Physical Science","1972","236","","25","26","10.1038/physci236025a0","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9011847","16.89","","7.01","","6.6","","90","","96.33","","90","","776.669","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","Sklodowskite","- H12 Mg O18 Si2 U2 -","- H12 Mg O18 Si2 U2 -","- H24 Mg2 O36 Si4 U4 -","2","0.25","","Mokeeva, V. I.","The structure of sklodowskite","Soviet Physics Crystallography","1964","9","","217","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9011887","16.74","","7.01","","6.59","","90","","96","","90","","769.083","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","Sklodowskite","- H8 Mg O16 Si2 U2 -","- H8 Mg O16 Si2 U2 -","- H16 Mg2 O32 Si4 U4 -","2","0.25","","Mokeeva, V. I.","The crystal structure of sklodowskite","Soviet Physics Doklady","1959","4","","27","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011940","6.936","","7.382","","7.443","","90","","94.3","","90","","380.02","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","Novgorodovaite","- C H2 Ca Cl O3 -","- C H2 Ca Cl O3 -","- C4 H8 Ca4 Cl4 O12 -","4","0.5","","Rastsvetaeva, R. K.; Chukanov, N. V.; Nekrasov, Y. V.","Crystal structure of novgorodovaite, Ca2(C2O4)Cl2*2H2O","Doklady Akademii Nauk SSSR","2001","381","","353","355","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012121","5.953","","3.437","","11.948","","90","","90.1","","90","","244.461","","","","","","","","","","","","Synthetic","3","I 1 2/m 1","-I 2y","12","","","Heideite","- Fe S4 Ti2 -","- Fe S4 Ti2 -","- Fe2 S8 Ti4 -","2","0.25","","Takahashi, T.; Yamada, O.","Crystallographic and magnetic properties of the Cd(OH)2 layer structure compound TiS2 containing extra iron","Journal of Solid State Chemistry","1973","7","","25","30","10.1016/0022-4596(73)90116-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012626","13.033","","18.717","","12.264","","90","","99.62","","90","","2949.59","","","","","","","","","","","","Aluaiv, Lovozero alkaline massif, Kola peninsula, Russia","10","I 1 2/m 1","-I 2y","12","","","Intersilite","- Ca0.02 Fe0.04 H13 K0.45 Mn0.94 Na5.8 Nb0.25 O32 Si10 Ti0.75 -","- Ca0.02 Fe0.04 H13 K0.45 Mn0.94 Na5.8 Nb0.25 O32 Si10 Ti0.75 -","- Ca0.08 Fe0.16 H52 K1.8 Mn3.76 Na23.2 Nb O128 Si40 Ti3 -","4","0.5","","Yamnova, N. A.; Egorov-Tismenko Y K; Khomyakov, A. P.","Crystal structure of a new natural (Na,Mn,Ti)-phyllosilicate","Crystallography Reports","1996","41","","239","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012898","10.021","","13.441","","4.721","","90","","102.84","","90","","619.982","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","Vivianite","- Fe3 H16 O16 P2 -","- Fe3 H16 O16 P2 -","- Fe6 H32 O32 P4 -","2","0.25","","Bartl, H.","Water of crystallization and its hydrogen-bonded crosslinking in vivianite Fe~3~(PO~4~)~2~*8H~2~O; a neutron diffraction investigation","Fresenius' Zeitschrift für analytische Chemie","1989","333","4-5","401","403","10.1007/BF00572335","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9014331","5.593","","3.645","","22.45599","","90","","96.97","","90","","454.415","","","","","","","","","","","","Wessels mine, Kalahari manganese field, South Africa","3","I 1 2/m 1","-I 2y","12","","","Clinotobermorite","- Ca2.5 O9 Si3 -","- Ca2.5 O9 Si3 -","- Ca5 O18 Si6 -","2","0.25","","Hoffmann, C.; Armbruster, T.","Clinotobermorite, Ca5(Si3O8(OH))2*4(H2O) - Ca5(Si6O17)*5(H2O), a natural C-S-H(I) type cement mineral: determination of the substructure _cod_database_code 1000046","Zeitschrift fur Kristallographie","1997","212","","863","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9015515","7.8356","","13.9132","","10.2775","","90","","92.925","","90","","1118.98","","","","","","","","","","","","Big Horn Mountains, Maricopa County, Arizona, USA","5","I 1 2/m 1","-I 2y","12","","","Rongibbsite","- Al H O12 Pb2 Si4 -","- Al H O12 Pb2 Si4 -","- Al4 H4 O48 Pb8 Si16 -","4","0.5","","Yang, H.; Downs, R. T.; Evans, S. H.; Jenkins, R. A.; Bloch, E. M.","Rongibbsite, Pb2(Si4Al)O11(OH), a new zeolitic aluminosilicate mineral with an interrupted framework from Maricopa County, Arizona, U.S.A.","American Mineralogist","2013","98","","236","241","10.2138/am.2013.4252","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9017252","25.333","","6.299","","15.161","","90","","90.03","","90","","2419.28","","","","","","","","","","","","Foote Lithium Company mine, Kings Mountain district, North Carolina, USA","8","I 1 2/m 1","-I 2y","12","","","Ferraioloite","- Al1.76 Fe2.24 H44 Mg Mn4 O56 P8 Zn4 -","- Al1.76 Fe2.24 H44 Mg Mn4 O56 P8 Zn4 -","- Al3.52 Fe4.48 H88 Mg2 Mn8 O112 P16 Zn8 -","2","0.25","","Mills, S. J.; Grey, I. E.; Kampf, A. R.; Macrae, C. M.; Smith, J. B.; Davidson, C. J.; Glenn, A. M.","Ferraioloite, MgMn2+4(Fe2+0.5Al3+0.5)4Zn4(PO4)8(OH)4(H2O)20, a new secondary phosphate mineral from the Foote mine, USA","European Journal of Mineralogy","2016","28","","655","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017528","9.889","","4.105","","6.913","","90","","89.996","","90","","280.629","","","","","","","","","","","","Synthetic","2","I 1 2/m 1","-I 2y","12","","","Cupalite","- Al5 Cu5 -","- Al5 Cu5 -","- Al10 Cu10 -","2","0.25","","El-Boragy M; Szepan, R.; Schubert, K.","Kristallstruktur von Cu3Al2+ (h) und CuAl (r)","Journal of the Less-Common Metals","1972","29","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""