# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-03-19T06:47:13+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'F m m 2' 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
"1004050","7.359","0.003","12.513","0.006","7.704","0.005","90","","90","","90","","709.4","","","","","","","","","","","","","3","F m m 2","F 2 -2","42","","Tungsten oxide 0.3-hydrate","","- H0.66 O3.33 W -","- H0.833333 O3.33333 W -","- H10 O40 W12 -","12","0.75","","Gerand, B; Nowogrocki, G; Figlarz, M","A new tungsten trioxide hydrate, W O~3~ (H~2~ O)~0.33~: Preparation, characterization and crystallographic study","Journal of Solid State Chemistry","1981","38","","312","320","10.1016/0022-4596(81)90062-1","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504381","7.1819","0.0014","12.912","0.003","4.693","0.0009","90","","90","","90","","435.19","0.16","295","2","295","2","","","620000","","","","","3","F m m 2","F 2 -2","42","diiodomethane","diiodomethane, polymorph II","","- C H2 I2 -","- C H2 I2 -","- C4 H8 I8 -","4","0.25","","Podsiadło, Marcin; Katrusiak, Andrzej","Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2.","The journal of physical chemistry. B","2008","112","17","5355","5362","10.1021/jp8006574","","","0.71073","MoKα","","0.0161","0.0154","","","0.0369","0.0372","","","","","","1.155","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504382","6.9208","0.0014","12.695","0.003","4.5338","0.0009","90","","90","","90","","398.34","0.15","295","2","295","2","","","1560000","","","","","3","F m m 2","F 2 -2","42","diiodomethane","diiodomethane, polymorph II","","- C H2 I2 -","- C H2 I2 -","- C4 H8 I8 -","4","0.25","","Podsiadło, Marcin; Katrusiak, Andrzej","Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2.","The journal of physical chemistry. B","2008","112","17","5355","5362","10.1021/jp8006574","","","0.71073","MoKα","","0.0187","0.0171","","","0.0211","0.0212","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511172","6.371","","6.365","","6.885","","90","","90","","90","","279.196","","","","","","","","","","","","","4","F m m 2","F 2 -2","42","","Li (B Ge O4)","","- B Ge Li O4 -","- B Ge Li O4 -","- B4 Ge4 Li4 O16 -","4","0.25","","Ihara, M.","The crystal structure of lithium boro-germanate, Li~2~OB~2~O~3~(GeO~2~)~2~","Journal of the Ceramic Association, Japan","1971","79","909","152","155","10.2109/jcersj1950.79.909_152","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521964","5.495","","5.516","","15.416","","90","","90","","90","","467.265","","","","","","","","","","","","","4","F m m 2","F 2 -2","42","","Bi2 (V0.4 Ge0.6) O5.2","","- Bi2 Ge0.6 O5.2 V0.4 -","- Bi2 Ge0.6 O5.2 V0.4 -","- Bi8 Ge2.4 O20.8 V1.6 -","4","0.25","","Sooryanarayana, K.; Guru Row, T.N.; Varma, K.B.R.","Structural phase transitions in Bi2 V1-x Gex Co5.5-x/2 (x = 0.2, 0.4 and 0.6) single crystals: X-ray crystallographic study","Materials Research Bulletin","1999","34","","425","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","142181","2020-10-21","18:00:00",""
"1524453","6.1","","6.113","","10.512","","90","","90","","90","","391.985","","","","","","","","","","","","","3","F m m 2","F 2 -2","42","","","","- Ce Ga3.05 Pt0.95 -","- Ce Ga3.04 Pt0.96 -","- Ce4 Ga12.16 Pt3.84 -","4","0.25","","Grin', Yu.; Hiebl, K.; Rogl, P.","Structural chemistry and magnetic behaviour of ternary gallides Re Ptx Ga4-x (RE= La, Ce, Pr, Nd, Sm)","Journal of the Less-Common Metals","1988","136","","329","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525677","22.606","","7.2219","","19.01","","90","","90","","90","","3103.54","","","","","","","","","","","","","3","F m m 2","F 2 -2","42","","Na (V2 O5)","","- Na O5 V2 -","- Na O5 V2 -","- Na32 O160 V64 -","32","2","","Bernert, A.; Fulde, P.; Chatterji, T.; Thalmeier, P.","Structure determination, valence and superexchange in the dimerized low temperature phase of alpha'-(Na V2 O5)","The European Physical Journal B","2001","21","","535","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525849","5.385","","5.366","","11.81","","90","","90","","90","","341.261","","","","","","","","","","","","","4","F m m 2","F 2 -2","42","","Ca1.50 Nd.50 Mn O4","","- Ca1.5 Mn Nd0.5 O4 -","- Ca1.5 Mn Nd0.5 O4 -","- Ca6 Mn4 Nd2 O16 -","4","0.25","","Daoudi, A.; le Flem, G.","Sur une Serie de Solutions Solides de Formule Ca2-x Lnx Mn O4 (Ln = Pr, Nd, Sm, Eu, Gd)","Journal of Solid State Chemistry","1972","5","","57","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531494","41.857","","5.4551","","5.468","","90","","90","","90","","1248.53","","","","","","","","","","","","","4","F m m 2","F 2 -2","42","","Ba Bi4 Ti4 O15","","- Ba Bi4 O15 Ti4 -","- Ba0.94 Bi4.06 O15 Ti4 -","- Ba3.76 Bi16.24 O60 Ti16 -","4","0.25","","Fuentes, M.E.; Fernandez, J.F.; Mehta, A.; Lascano, L.; Chianelli, R.R.; Fuentes, L.; Camacho, H.","The crystal structure of Ba Bi4 Ti4 O15","Ferroelectrics","2002","269","","159","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531693","5.4712","","5.4597","","27.8943","","90","","90","","90","","833.234","","","","","","","","","","","","","5","F m m 2","F 2 -2","42","","Pb Ba2 Y Cu3 O7","","- Ba2 Cu3 O7 Pb Y -","- Ba2 Cu3 O7 Pb Y -","- Ba8 Cu12 O28 Pb4 Y4 -","4","0.25","","Kirbyshire, A. L.; Greaves, C.","PbBa~2~Y~1-x~Ca~x~Cu~3~O~7+δ~: synthesis, structure and superconductivity","Superconductor Science and Technology","2002","15","7","1048","1053","10.1088/0953-2048/15/7/310","","","","","","","","","","","","","","","","","","","","","has coordinates","206904","2020-10-21","18:00:00",""
"1535563","22.3222","","18.4636","","6.3678","","90","","90","","90","","2624.48","","","","","","","","","","","","","6","F m m 2","F 2 -2","42","","Hg4 Cd Br4 (S C N)6","","- C6 Br4 Cd Hg4 N6 S6 -","- C6 Br4 Cd Hg4 N6 S6 -","- C24 Br16 Cd4 Hg16 N24 S24 -","4","0.25","","Mosset, A.; Bagieu-Beucher, M.; Lecchi, A.; Masse, R.; Zaccaro, J.","Crystal engineering strategy of thiocyanates for quadratic nonlinear optics. Hg3 Cd Cl2 (S C N)6 and Hg4 Cd Br4 (S C N)6","Solid State Sciences","2002","4","","827","834","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541825","13.185","","22.397","","8.247","","90","","90","","90","","2435.38","","","","","","","","","","","","","7","F m m 2","F 2 -2","42","","Na ((C F3)2 (S O2)2 N) (C H3 O H) (H2 O)","","- C3 H6 F6 N Na O6 S2 -","- C3 H6 F6 N Na O6 S2 -","- C24 H48 F48 N8 Na8 O48 S16 -","8","0.5","","Xue, L.-X.; Pennington, W.T.; Padgett, C.W.; DesMarteau, D.D.","Synthesis and structures of alkali metal salts of bis((trifluoromethyl) sulfonyl) imide","Solid State Sciences","2002","4","","1535","1545","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","198668","2020-10-21","18:00:00",""
"1542399","14.9546","0.0012","17.323","0.002","8.194","0.0007","90","","90","","90","","2122.7","0.3","100","1","100","1","","","","","","","","4","F m m 2","F 2 -2","42","","","","- C20 H30 Br2 U -","- C20 H30 Br2 U -","- C80 H120 Br8 U4 -","4","0.25","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.0193","0.018","","","0.0498","0.066","","","","","","1.27","","","","has coordinates","175831","2020-10-21","18:00:00",""
"2000352","14.913","0.003","17.348","0.003","8.168","0.002","90","","90","","90","","2113.1","0.8","","","","","","","","","","","","4","F m m 2","","","","","","- C20 H30 Cl2 U -","- C20 H30 Cl2 U -","- C80 H120 Cl8 U4 -","4","0.25","HA0097","Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.","Bis(cyclopentadienyl) actinide(IV) compounds. I. The structure of dichlorobis(pentamethyl-η^5^-cyclopentadienyl)uranium(IV) and dichlorobis(pentamethyl-η^5^-cyclopentadienyl)thorium(IV)","Acta Crystallographica Section C","1992","48","12","2135","2137","10.1107/S0108270192003603","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","189212","2020-10-21","18:00:00",""
"2000353","14.939","0.004","17.535","0.005","8.201","0.002","90","","90","","90","","2148.3","1","","","","","","","","","","","","4","F m m 2","","","","","","- C20 H30 Cl2 Th -","- C20 H30 Cl2 Th -","- C80 H120 Cl8 Th4 -","4","0.25","HA0097","Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.","Bis(cyclopentadienyl) actinide(IV) compounds. I. The structure of dichlorobis(pentamethyl-η^5^-cyclopentadienyl)uranium(IV) and dichlorobis(pentamethyl-η^5^-cyclopentadienyl)thorium(IV)","Acta Crystallographica Section C","1992","48","12","2135","2137","10.1107/S0108270192003603","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","189212","2020-10-21","18:00:00",""
"2002266","5.312","","5.363","","11.869","","90","","90","","90","","338.1","","","","","","","","","","","","","3","F m m 2","F 2 -2","42","","Disamarium cobalt oxide","","- Co O4 Sm2 -","- Co O4 Sm2 -","- Co4 O16 Sm8 -","4","0.25","","Lehmann, U; Mueller-Buschbaum, Hk","Ein Beitrag zur Chemie der Oxocobaltate(II): La2 Co O4, Sm2 Co O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","470","","59","63","10.1002/zaac.19804700108","","","","","","0.109","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006756","15.018","0.007","17.517","0.004","8.226","0.004","90","","90","","90","","2164","1.5","150","","150","","","","","","","","","4","F m m 2","F 2 -2","42","","Bis[pentamethylcyclopentadiene]dibromothorium(IV)","","- C20 H30 Br2 Th -","- C20 H30 Br2 Th -","- C80 H120 Br8 Th4 -","4","0.25","BK1342","Rabinovich, Daniel; Schimek, George L.; Pennington, William T.; Nielsen, Jon B.; Abney, Kent D.","Dibromobis(η^5^-pentamethylcyclopentadienyl)thorium(IV)","Acta Crystallographica Section C","1997","53","12","1794","1797","10.1107/S0108270197010056","","","0.71073","MoKα","","0.0313","0.031","","0.0342","0.034","","","","","2.28","2.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012993","6.8039","0.0014","17.011","0.003","6.1959","0.0012","90","","90","","90","","717.1","0.2","148","","148","2","","","","","","","","4","F m m 2","F 2 -2","42","2,6-diiodopyridine","2,6-diiodopyridine","","- C5 H3 I2 N -","- C5 H3 I2 N -","- C20 H12 I8 N4 -","4","0.25","LN1141","Holmes, Brian T.; Padgett, Clifford W.; Pennington, William T.","2,6-Diiodopyridine","Acta Crystallographica Section C","2002","58","10","o602","o603","10.1107/S0108270102014932","","","0.71073","MoKα","","0.02","0.02","","","0.0498","0.0498","","","","","","1.107","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013502","9.9496","0.0008","36.295","0.003","7.0643","0.0006","90","","90","","90","","2551.1","0.4","150","1","150","1","","","","","","","","5","F m m 2","F 2 -2","42","","Hexamethylenetetramine‒ferrocenecarboxylic acid (1/2)","","- C28 H32 Fe2 N4 O4 -","- C28 H32 Fe2 N4 O4 -","- C112 H128 Fe8 N16 O16 -","4","0.25","SK1641","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of hexamethylenetetramine with ferrocenecarboxylic acid and ferrocene-1,1'-dicarboxylic acid: multiple disorder in space groups <i>Fmm</i>2 and <i>Cmcm</i>","Acta Crystallographica Section C","2003","59","7","m271","m274","10.1107/S010827010301031X","","","0.71073","MoKα","","0.054","0.0442","","","0.0948","0.0994","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2100677","7.3128","0.0015","13.074","0.003","4.7465","0.0009","90","","90","","90","","453.8","0.16","293","2","293","2","","","","","","","","3","F m m 2","F 2 -2","42","methylene iodide","Diiodomethane","","- C H2 I2 -","- C H2 I2 -","- C4 H8 I8 -","4","0.25","BK5037","Marcin Podsiad{λ}o; Kamil F. Dziubek; Marek Szafranski; Andrzej Katrusiak","Molecular interactions in crystalline dibromomethane and diiodomethane, and the stabilities of their high-pressure and low-temperature phases","Acta Crystallographica Section B","2006","62","6","1090","1098","10.1107/S0108768106034963","","","0.71073","MoKα","","0.0279","0.0264","","","0.0759","0.0764","","","","","","1.334","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100678","7.411","0.003","13.137","0.004","4.7942","0.0015","90","","90","","90","","466.8","0.3","2702","","293","2","","","","","","","","3","F m m 2","F 2 -2","42","methylene iodide","Diiodomethane","","- C H2 I2 -","- C H2 I2 -","- C4 H8 I8 -","4","0.25","BK5037","Marcin Podsiad{λ}o; Kamil F. Dziubek; Marek Szafranski; Andrzej Katrusiak","Molecular interactions in crystalline dibromomethane and diiodomethane, and the stabilities of their high-pressure and low-temperature phases","Acta Crystallographica Section B","2006","62","6","1090","1098","10.1107/S0108768106034963","","","0.71073","MoKα","","0.0653","0.063","","","0.1738","0.1769","","","","","","1.138","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103180","17.639","","15.172","","8.187","","90","","90","","90","","2191","","","","","","","","","","","","","4","F m m 2","F 2 -2","42","","bis-[(h5-pentamethylcyclopentadienyl)-tetrahydroborato]-uranium(IV)","","- C20 H38 B2 U -","- C20 H38 B2 U -","- C80 H152 B8 U4 -","4","0.25","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","189213","2020-10-21","18:00:00",""
"2103859","18.7267","0.0011","22.6805","0.0011","7.0893","0.0004","90","","90","","90","","3011","0.3","150","1","150","1","","","","","","","","5","F m m 2","F 2 -2","42","","2,2'-Dipyridylamine‒phosphonopropionic acid‒water (1/1/1)","","- C13 H18 N3 O6 P -","- C13 H18 N3 O6 P -","- C104 H144 N24 O48 P8 -","8","0.5","BM0061","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Phosphonopropionic acid as a building block in supramolecular chemistry: salts with organic diamines","Acta Crystallographica Section B","2003","59","2","248","262","10.1107/S0108768102021237","","","0.71073","MoKα","","0.0592","0.0449","","","0.1016","0.1106","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2311769","10.1183","0.0018","27.015","0.005","7.1684","0.0013","90","","90","","90","","1959.5","0.6","260","0.1","260","0.1","","","","","","","","4","F m m 2","F 2 -2","42","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0575","0.0494","","","0.13","0.1369","","","","","","1.071","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2311770","10.1464","0.0011","27.166","0.003","7.1898","0.0008","90","","90","","90","","1981.8","0.4","280","0.1","280","0.1","","","","","","","","4","F m m 2","F 2 -2","42","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0545","0.044","","","0.118","0.1275","","","","","","1.054","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2311771","10.1732","0.0013","27.291","0.004","7.2049","0.0009","90","","90","","90","","2000.3","0.5","300","0.1","300","0.1","","","","","","","","4","F m m 2","F 2 -2","42","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0535","0.0434","","","0.1218","0.1315","","","","","","1.066","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"4002013","13.7195","0.0001","35.2245","0.0006","22.1362","0.0001","90","","90","","90","","10697.6","0.2","","","295","","","","","","","","","5","F m m 2","F 2 -2","42","SSZ-45","","","- C88 H168 N16 O400 Si200 -","- C88 H168 N16 O400 Si200 -","- C88 H168 N16 O400 Si200 -","1","0.0625","","Smeets, Stef; Xie, Dan; McCusker, Lynne B.; Baerlocher, Christian; Zones, Stacey I.; Thompson, Joshua A.; Lacheen, Howard S.; Huang, Hua-Min","SSZ-45: A High-Silica Zeolite with Small Pore Openings, Large Cavities, and Unusual Adsorption Properties","Chemistry of Materials","2014","26","13","3909","3913","10.1021/cm501176j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4003866","43.827","0.0011","21.4937","0.0006","24.7957","0.0006","90","","90","","90","","23357.7","1","173","2","173","2","","","","","","","","5","F m m 2","F 2 -2","42","Hf-TCBPA-MOF","","","- C81 H56 Hf6 N2 O36 -","- C81 H56 Hf6 N2 O36 -","- C648 H448 Hf48 N16 O288 -","8","0.5","","Hu, Xuefu; Wang, Zhiye; Su, Yuming; Chen, Peican; Jiang, Yibin; Zhang, Cankun; Wang, Cheng","Metal‒Organic Layers with an Enhanced Two-Photon Absorption Cross-Section and Up-Converted Emission","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c03457","","","0.71073","MoKα","","0.0699","0.0504","","","0.1367","0.1449","","","","","","1.115","","","","has coordinates","261980","2021-02-15","23:36:50",""
"4117014","22.09","0.002","23.421","0.004","12.467","0.002","90","","90","","90","","6450.1","1.6","293","2","293","2","","","","","","","","3","F m m 2","F 2 -2","42","","Cs6Ge8Zn","","- Cs6 Ge8 Zn -","- Cs6 Ge8 Zn -","- Cs72 Ge96 Zn12 -","12","0.75","","Virginie Queneau; Slavi C. Sevov","Cs6Ge8Zn: A Zintl Phase with Isolated Heteroatomic Clusters of Ge8Zn","Journal of the American Chemical Society","1997","119","","8109","8110","10.1021/ja9717121","","","0.71073","MoKα","","0.1524","0.0795","","0.1995","0.144","","","","1.143","1.08","1.08","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4123874","35.4963","0.0014","5.832","0.0002","16.0912","0.0006","90","","90","","90","","3331.1","0.2","296","2","296","2","","","","","","","","3","F m m 2","F 2 -2","42","","","","- Cl18 O8 Pb17 -","- Cl18 O8 Pb17 -","- Cl54 O24 Pb51 -","3","0.1875","","Zhang, Hui; Zhang, Min; Pan, Shilie; Dong, Xiaoyu; Yang, Zhihua; Hou, Xueling; Wang, Zheng; Chang, Kelvin B.; Poeppelmeier, Kenneth R.","Pb17O8Cl18: A Promising IR Nonlinear Optical Material with Large Laser Damage Threshold Synthesized in an Open System.","Journal of the American Chemical Society","2015","137","26","8360","8363","10.1021/jacs.5b03986","","","0.71073","MoKα","","0.0711","0.0557","","","0.1309","0.1396","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4126128","42.669","0.007","21.909","0.003","24.6933","0.0006","90","","90","","90","","23084","5","77","","77","","","","","","","","","3","F m m 2","F 2 -2","42","","Hf-BTE-MOF-L","","- C68 Hf6 O29 -","- C68 Hf6 O29 -","- C544 Hf48 O232 -","8","0.5","","Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin","Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.","Journal of the American Chemical Society","2017","139","20","7020","7029","10.1021/jacs.7b02470","","","0.41328","","","0.113","0.0937","","","0.2201","0.2407","","","","","","0.894","","","","has coordinates","197269","2020-10-21","18:00:00",""
"4131451","9.779","0.003","16.542","0.006","6.543","0.003","90","","90","","90","","1058.4","0.7","100","2","100","2","","","","","","","","4","F m m 2","F 2 -2","42","","","","- C14 H12 N P -","- C14 H11 N0.5 P0.5 -","- C56 H44 N2 P2 -","4","0.25","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; García-Iriepa, Cristina; Temprado, Manuel; Cummins, Christopher C.","Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds.","Journal of the American Chemical Society","2017","139","31","10822","10831","10.1021/jacs.7b05464","","","0.71073","MoKα","","0.0414","0.0361","","","0.0879","0.0908","","","","","","1.058","","","","has coordinates,has disorder","241649","2020-10-21","18:00:00",""
"4132811","34.835","0.007","43.607","0.009","15.766","0.003","90","","90","","90","","23949","8","100","2","100","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C44 H96 Cl4 O164 Zr36 -","- C44 H74 Cl4 O180 Zr36 -","- C176 H296 Cl16 O720 Zr144 -","4","0.25","","Choi, Jong In; Chun, Hyungphil; Lah, Myoung Soo","Zirconium-Formate Macrocycles and Supercage: Molecular Packing versus MOF-like Network for Water Vapor Sorption.","Journal of the American Chemical Society","2018","140","34","10915","10920","10.1021/jacs.8b06757","","","0.65","synchrotron","","0.0597","0.0477","","","0.1264","0.133","","","","","","0.979","","","","has coordinates","242712","2020-10-21","18:00:00",""
"4133526","9.5932","0.001","16.8116","0.0017","6.1756","0.0006","90","","90","","90","","995.98","0.17","100","2","100","2","","","","","","","","3","F m m 2","F 2 -2","42","","","","- C14 H11 P -","- C14 H11 P -","- C56 H44 P4 -","4","0.25","","Transue, Wesley J.; Nava, Matthew; Terban, Maxwell W.; Yang, Jing; Greenberg, Matthew W.; Wu, Gang; Foreman, Elizabeth S.; Mustoe, Chantal L.; Kennepohl, Pierre; Owen, Jonathan S.; Billinge, Simon J. L.; Kulik, Heather J.; Cummins, Christopher C.","Anthracene as a Launchpad for a Phosphinidene Sulfide and for Generation of a Phosphorus-Sulfur Material Having the Composition P<sub>2</sub>S, a Vulcanized Red Phosphorus That Is Yellow.","Journal of the American Chemical Society","2019","141","1","431","440","10.1021/jacs.8b10775","","","0.71073","MoKα","","0.0214","0.0214","","","0.0609","0.0609","","","","","","1.226","","","","has coordinates","243291","2020-10-21","18:00:00",""
"4313244","9.1795","0.0003","13.0993","0.0005","8.852","0.0003","90","","90","","90","","1064.41","0.06","150","1","150","1","","","","","","","","4","F m m 2","F 2 -2","42","","","","- C11 H16 B Ti -","- C11 H16 B Ti -","- C44 H64 B4 Ti4 -","4","0.25","","Fu-Chen Liu; Ko-Yu Chen; Jung-Hua Chen; Gene-Hsian Lee; Shie-Ming Peng","Syntheses and Structures of Metallocene Methyltrihydroborate Derivativies: Cp2ZrCl{(μ-H)2BHCH3}, Cp2Zr{(μ-H)2BHCH3}2, and Cp2Ti{(μ-H)2BHCH3}","Inorganic Chemistry","2003","42","","1758","1763","10.1021/ic020597e","","","0.71073","MoKα","","0.0523","0.0516","","","0.1349","0.1367","","","","","","1.082","","","","has coordinates,has disorder","179188","2020-10-21","18:00:00",""
"4316345","21.0575","0.0008","43.5121","0.0016","12.9662","0.0005","90","","90","","90","","11880.4","0.8","185","2","185","2","","","","","","","","6","F m m 2","F 2 -2","42","","","","- C96 H134 Co8 N18 O26 S8 -","- C96 H116 Co8 N18 O25.998 S8 -","- C384 H464 Co32 N72 O103.992 S32 -","4","0.25","","Yanfeng Bi; Wuping Liao; Guancheng Xu; Ruiping Deng; Meiyan Wang; Zhijian Wu; Song Gao; Hongjie Zhang","Three p-tert-Butylthiacalix[4]arene-Supported Cobalt Compounds Obtained in One Pot Involving In Situ Formation of N6H2 Ligand","Inorganic Chemistry","2010","49","","7735","7740","10.1021/ic1005105","","","0.71073","MoKα","","0.057","0.0488","","","0.1346","0.1432","","","","","","1.064","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"4319914","13.3401","0.0012","14.9628","0.0013","13.1511","0.0011","90","","90","","90","","2625","0.4","293","2","293","2","","","","","","","","6","F m m 2","F 2 -2","42","","","","- C16 H32 Cl4 Li2 O10 U -","- C16 Cl4 Li2 O10 U -","- C64 Cl16 Li8 O40 U4 -","4","0.25","","Janet A. Danis; Mavis R. Lin; Brian L. Scott; Bryan W. Eichhorn; Wolfgang H. Runde","Coordination Trends in Alkali Metal Crown Ether Uranyl Halide Complexes: The Series [A(Crown)]2[UO2X4] Where A = Li, Na, K and X = Cl, Br","Inorganic Chemistry","2001","40","","3389","3394","10.1021/ic0011056","","","0.71073","MoKα","","0.0408","0.0403","","","0.0918","0.0921","","","","","","1.143","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4328732","16.7649","0.0016","24.203","0.003","23.937","0.002","90","","90","","90","","9712.7","1.7","200","2","200","2","","","","","","","","6","F m m 2","F 2 -2","42","","","","- C43 H113 Li O8 Si12 Sn9 -","- C43 H114 Li O8 Si12 Sn9 -","- C172 H456 Li4 O32 Si48 Sn36 -","4","0.25","","Claudio Schrenk; Marco Neumaier; Andreas Schnepf","{Sn9[Si(SiMe3)3]3}- and {Sn8Si[Si(SiMe3)3]3}-: Variations of the E9 Cage of Metalloid Group 14 Clusters","Inorganic Chemistry","2012","51","","3989","3995","10.1021/ic201730g","","","0.71073","MoKα","","0.0516","0.0469","","","0.1334","0.1436","","","","","","1.061","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4509229","13.663","0.005","37.256","0.008","10.932","0.002","90","","90","","90","","5565","3","293","2","293","2","","","","","","","","6","F m m 2","F 2 -2","42","","","","- C5 H5 Cd2 Cl2 N8 O0 -","- C5 H5 Cd2 Cl2 N8 -","- C80 H80 Cd32 Cl32 N128 -","16","1","","Tong, Xiao-Lan; Wang, Duo-Zhi; Hu, Tong-Liang; Song, Wei-Chao; Tao, Ying; Bu, Xian-He","Zinc and Cadmium Coordination Polymers with Bis(tetrazole) Ligands Bearing Flexible Spacers: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","5","2280","","10.1021/cg8010629","","","0.71073","MoKα","","0.0406","0.03","","","0.0766","0.0828","","","","","","1.045","","","","has coordinates","179628","2020-10-21","18:00:00",""
"6000061","17.0694","0.0009","33.324","0.002","9.9536","0.0005","90","","90","","90","","5661.8","0.5","","","296","","","","","","","","","6","F m m 2","F 2 -2","42","","","","- Al6 N54 O7 Si30 Sm6 Sr10 -","- Al6 N54 O7 Si30 Sm6 Sr10 -","- Al24 N216 O28 Si120 Sm24 Sr40 -","4","0.25","","Lauterbach, Rainer; Schnick, Wolfgang","High-temperature synthesis and single-crystal X-ray structure determination of Sr10Sm6Si30Al6O7N54 - a layered sialon with an ordered distribution of Si, Al, O, and N","Solid State Sciences","2000","2","","463","472","10.1016/S1293-2558(00)00147-3","","x-ray","0.71073","MoKα","","","0.0706","","","0.1273","","","","","","","1.119","","","","has coordinates","190905","2020-10-21","18:00:00",""
"7004544","6.6224","0.0007","11.2563","0.001","14.1921","0.0016","90","","90","","90","","1057.93","0.19","296","2","296","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C3 H8 Er N9 O5 -","- C3 H8 Er N9 O5 -","- C12 H32 Er4 N36 O20 -","4","0.25","","Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song","Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)","Dalton Transactions","2008","","44","6165","6169","10.1039/b808394k","","","0.71073","MoKα","","0.0217","0.0217","","","0.0523","0.0523","","","","","","1.198","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004545","11.3328","0.0006","6.7392","0.0006","14.2821","0.001","90","","90","","90","","1090.78","0.14","296","2","296","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C3 H10 Eu N9 O5 -","- C3 H10 Eu N9 O5 -","- C12 H40 Eu4 N36 O20 -","4","0.25","","Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song","Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)","Dalton Transactions","2008","","44","6165","6169","10.1039/b808394k","","","0.71073","MoKα","","0.0308","0.0308","","","0.0769","0.0769","","","","","","1.362","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004546","6.5671","0.0007","11.2158","0.0013","14.1583","0.0016","90","","90","","90","","1042.8","0.2","296","2","296","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C3 H2 N9 O5 Yb -","- C3 H2 N9 O5 Yb -","- C12 H8 N36 O20 Yb4 -","4","0.25","","Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song","Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)","Dalton Transactions","2008","","44","6165","6169","10.1039/b808394k","","","0.71073","MoKα","","0.0156","0.0156","","","0.0397","0.0397","","","","","","1.134","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004549","6.6654","0.0004","11.2803","0.0006","14.2135","0.0007","90","","90","","90","","1068.68","0.1","296","2","296","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C3 H2 Dy N9 O5 -","- C3 H2 Dy N9 O5 -","- C12 H8 Dy4 N36 O20 -","4","0.25","","Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song","Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)","Dalton Transactions","2008","","44","6165","6169","10.1039/b808394k","","","0.71073","MoKα","","0.0194","0.0194","","","0.0483","0.0483","","","","","","1.184","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004550","6.7214","0.0004","11.312","0.0006","14.2721","0.0008","90","","90","","90","","1085.14","0.11","296","2","296","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C3 H7 Gd N9 O5 -","- C3 H5 Gd N9 O5 -","- C12 H20 Gd4 N36 O20 -","4","0.25","","Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song","Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)","Dalton Transactions","2008","","44","6165","6169","10.1039/b808394k","","","0.71073","MoKα","","0.0269","0.0269","","","0.0676","0.0676","","","","","","1.24","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004551","6.7411","0.0012","11.3202","0.0019","14.281","0.003","90","","90","","90","","1089.8","0.4","296","2","296","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C3 H7 N9 O5 Pr -","- C3 H7 N9 O5 Pr -","- C12 H28 N36 O20 Pr4 -","4","0.25","","Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song","Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)","Dalton Transactions","2008","","44","6165","6169","10.1039/b808394k","","","0.71073","MoKα","","0.0257","0.0257","","","0.0605","0.0605","","","","","","1.159","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004552","6.6892","0.0002","11.2926","0.0003","14.2428","0.0003","90","","90","","90","","1075.88","0.05","296","2","296","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C3 H2 N9 O5 Tb -","- C3 H2 N9 O5 Tb -","- C12 H8 N36 O20 Tb4 -","4","0.25","","Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song","Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd)","Dalton Transactions","2008","","44","6165","6169","10.1039/b808394k","","","0.71073","MoKα","","0.0206","0.0206","","","0.0464","0.0464","","","","","","1.25","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7037709","14.392","0.003","15.699","0.003","10.741","0.002","90","","90","","90","","2426.8","0.8","293","2","293","2","","","","","","","","7","F m m 2","F 2 -2","42","","","","- C4 H29 Cl3 K2 Mg2 O23 Ru2 -","- C4 H22 Cl3 K2 Mg2 O23 Ru2 -","- C16 H88 Cl12 K8 Mg8 O92 Ru8 -","4","0.25","","Yang, Jian-Hui; Cheng, Ru-Mei; Jia, Yan-Yan; Jin, Jin; Yang, Bing-Bing; Cao, Zhi; Liu, Bin","Chlorine and temperature directed self-assembly of Mg-Ru2(ii,iii) carbonates and particle size dependent magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2945","2954","10.1039/c5dt04463d","","","0.71073","MoKα","","0.0196","0.0193","","","0.0518","0.052","","","","","","1.094","","","","has coordinates","177790","2020-10-21","18:00:00",""
"7051149","14.5678","0.0004","21.2602","0.0001","7.8893","0.0002","90","","90","","90","","2443.43","0.09","293","2","293","2","","","","","","","","6","F m m 2","F 2 -2","42","","","","- Cd Cl0.75 H2.5 Na0.75 O6 P1.5 -","- Cd Cl0.75 H2.5 Na0.75 O6 P1.5 -","- Cd16 Cl12 H40 Na12 O96 P24 -","16","1","","Jayaraman, Krishnamoorthy; Choudhury, Amitava; Vaidhyanathan, Ramanathan; Rao, C. N. R.","A layered chlorophosphate, Na3[Cd4Cl3(HPO4)2(H2PO4)4], containing Na+ ions in the interlamellar space","New Journal of Chemistry","2001","25","9","1199","","10.1039/b103278j","","","0.71073","MoKα","","0.0216","0.0199","","0.045","0.0444","","","","1.027","1.037","1.037","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202135","7.0153","0.0014","12.599","0.003","4.5877","0.0009","90","","90","","90","","405.49","0.15","295","2","295","2","","","800000","","","","","3","F m m 2","F 2 -2","42","diiodomethane, polymorph II","diiodomethane, polymorph II","","- C H2 I2 -","- C H2 I2 -","- C4 H8 I8 -","4","0.25","","Podsiadło, Marcin; Katrusiak, Andrzej","Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane","CrystEngComm","2008","10","10","1436","","10.1039/b805065a","","","0.71073","MoKα","","0.0461","0.0407","","","0.0506","0.0518","","","","","","1.23","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7223712","7.1916","","15.8913","","10.4912","","90","","90","","90","","1198.97","","","","","","","","","","","","","4","F m m 2","F 2 -2","42","","(N H4)4 (H2 (C O3)3) (H2 O)","","- C3 H20 N4 O10 -","- C3 H20 N4 O10 -","- C12 H80 N16 O40 -","4","0.25","","Margraf, G.; Lerner, H.W.; Bolte, M.; Wagner, M.","Synthese und struktur des ammoniumsesquicarbonat monohydrates (N H4)4 (H2 (C O3)3) * (H2 O)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","511","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","173275","2020-10-21","18:00:00",""
"7240418","21.824","0.006","22.95","0.006","14.977","0.004","90","","90","","90","","7501","3","173","2","173","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C24 H16 Cu2 N4 O10 -","- C24 H16 Cu2 N4 O10 -","- C192 H128 Cu16 N32 O80 -","8","0.5","","He, Cheng; Hou, Chao; Wang, Yumin; Gong, Xue Yong; Jiang, Hong Li; Sun, YongBin; Liu, Kun; Cao, Xiao Qun","Open metal sites(OMSs) and Lewis basic sites(LBSs) -functionalized copper-organic framework with high CO2 uptake performance and highly selective CO2/N2 and CO2/CH4 separation","CrystEngComm","2020","","","","","10.1039/C9CE02005E","","","0.71073","MoKα","","0.0656","0.0637","","","0.185","0.1864","","","","","","1.11","","","","has coordinates,has disorder","251253","2020-10-21","18:00:00",""
"8101529","7.729","0.002","50.439","0.012","7.515","0.002","90","","90","","90","","2929.7","1.2","293","2","293","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C30 H28 Cl4 N2 Pb -","- C30 H28 Cl4 N2 Pb -","- C120 H112 Cl16 N8 Pb4 -","4","0.25","","Braun, Markus; Frey, Wolfgang","Crystal structure of bis(2-anthrylmethylammonium) lead tetrachloride, (C~15~H~11~NH~3~)~2~PbCl~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","335","336","","","","","","","","0.0568","","","0.1383","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""