# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-18T13:25:22+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 4 c m' 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
"1000181","9.353","0.005","9.353","0.005","7.241","0.006","90","","90","","90","","633.4","","","","","","","","","","","","","5","I 4 c m","I 4 -2c","108","","Mercury(I) pentafluoroaluminate dihydrate","","- Al F5 H4 Hg2 O2 -","- Al F5 H4 Hg2 O2 -","- Al4 F20 H16 Hg8 O8 -","4","0.25","","Fourquet, J L; Plet, F; de Pape, R","The Structure of Dimercury(I) Aluminium(III) Fluoride Dihydrate","Acta Crystallographica B (24,1968-38,1982)","1981","37","","2136","2138","10.1107/S0567740881008236","","","","","","0.0365","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:27",""
"1525512","11.554","","11.554","","19.359","","90","","90","","90","","2584.33","","","","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","(Rh16 U As19)4.33","","- As61.08 Rh49.52 U32 -","- As61.08 Rh49.52 U32 -","- As61.08 Rh49.52 U32 -","1","0.0625","","Zemni, S.; Vicat, J.; Chaudouet, P.; Lambert, B.; Madar, R.; Senateur, J.P.","Phase relationships in the ternary system Ti - Au - Al at 775 K","Journal of the Less-Common Metals","1988","143","","113","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","146505","2020-10-21","18:00:00",""
"1532327","6.0348","","6.0348","","17.0688","","90","","90","","90","","621.625","","","","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","","","- Ba1.98 In2.14 O5.01 -","- Ba1.984 In2.14 O5.006 -","- Ba7.936 In8.56 O20.024 -","4","0.25","","Speakman, S.A.; Richardson, J.W.jr.; Mitchell, B.J.; Misture, S.T.","In-situ diffraction study of Ba2 In2 O5","Solid State Ionics","2002","149","","247","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532330","6.0468","","6.0468","","17.1116","","90","","90","","90","","625.665","","","","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","","","- Ba2.08 In2.11 O5 -","- Ba2.085 In2.113 O5 -","- Ba8.34 In8.452 O20 -","4","0.25","","Speakman, S.A.; Misture, S.T.; Mitchell, B.J.; Richardson, J.W.jr.","In-situ diffraction study of Ba2 In2 O5","Solid State Ionics","2002","149","","247","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535308","15.9593","","15.9593","","14.2149","","90","","90","","90","","3620.52","","","","","","","","","","","","","5","I 4 c m","I 4 -2c","108","","Cs6 ((U O2)4 (W5 O21) (O H)2 (H2 O)2)","","- Cs6 H6 O33 U4 W5 -","- Cs6 O33 U4 W5 -","- Cs24 O132 U16 W20 -","4","0.25","","Sykora, R.E.; Albrecht-Schmitt, T.E.","Hydrothermal synthesis and crystal structure of Cs6 ((U O2)4 (W5 O21) (O H)2 (H2 O)2): a new polar uranyl tungstate","Journal of Solid State Chemistry","2004","177","","3729","3734","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536071","7.269","","7.269","","10.463","","90","","90","","90","","552.848","","","","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","K3 (N O3)","","- K3 N O3 -","- K3 N O3 -","- K12 N4 O12 -","4","0.25","","Jansen, M.; Wolf, B.","Ueber die Tieftemperaturform von K3 N O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1983","502","","153","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1545314","8.9227","0.0013","8.9227","0.0013","9.039","0.003","90","","90","","90","","719.6","0.3","","","293","","","","","","","","","4","I 4 c m","I 4 -2c","108","","","","- O9 P2 V Zn2 -","- O9 P2 V Zn2 -","- O36 P8 V4 Zn8 -","4","0.25","","Lii, K. H.; Tsai, H. J.","Synthesis and crystal structure of Zn2VO(PO4)2, a vanadyl(IV) orthophosphate containing a dimer of edge-sharing ZnO5 square pyramids","Journal of Solid State Chemistry","1991","90","","291","295","10.1016/0022-4596(91)90145-8","","x-ray","0.7093","MoKα","","","0.026","","","0.025","","","","","","","","","","","has coordinates","192486","2020-10-21","18:00:00",""
"1561351","7.762","","7.762","","11.092","","90","","90","","90","","668.278","","293","2","293","2","","","","","","","","3","I 4 c m","I 4 -2c","108","","","","- Al0.5 Ge2 U1.5 -","- Al0.54 Ge1.96 U1.5 -","- Al4.32 Ge15.68 U12 -","8","0.5","","Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A.P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O.","Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases","Journal of Solid State Chemistry","2016","243","","168","178","10.1016/j.jssc.2016.08.008","","","0.71073","MoKα","","0.046","0.0283","","","0.0424","0.0449","","","","","","1.042","","","","has coordinates","263431","2021-03-30","08:05:39",""
"1561353","7.724","","7.724","","11.056","","90","","90","","90","","659.603","","293","2","293","2","","","","","","","","3","I 4 c m","I 4 -2c","108","","","","- Al2 Ge3 U3 -","- Al0.52 Ge4.48 U3 -","- Al2.08 Ge17.92 U12 -","4","0.25","","Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A.P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O.","Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases","Journal of Solid State Chemistry","2016","243","","168","178","10.1016/j.jssc.2016.08.008","","","0.71073","MoKα","","0.0544","0.0308","","","0.0451","0.0489","","","","","","0.984","","","","has coordinates","263433","2021-03-30","08:16:40",""
"1561355","7.753","","7.753","","11.055","","90","","90","","90","","664.505","","293","2","293","2","","","","","","","","3","I 4 c m","I 4 -2c","108","","","","- Al1.5 Ge3.5 U3 -","- Al1.418 Ge3.582 U3 -","- Al5.672 Ge14.328 U12 -","4","0.25","","Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A.P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O.","Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases","Journal of Solid State Chemistry","2016","243","","168","178","10.1016/j.jssc.2016.08.008","","","0.71073","MoKα","","0.0533","0.0293","","","0.0494","0.0529","","","","","","1.028","","","","has coordinates","263435","2021-03-30","08:19:31",""
"1561356","7.7684","0.001","7.7684","0.001","11.0741","0.001","90","","90","","90","","668.3","0.14","293","2","293","2","","","","","","","","3","I 4 c m","I 4 -2c","108","","","","- Al2.07 Ge2.93 U3 -","- Al2.06 Ge2.94 U3 -","- Al8.24 Ge11.76 U12 -","4","0.25","","Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A.P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O.","Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases","Journal of Solid State Chemistry","2016","243","","168","178","10.1016/j.jssc.2016.08.008","","","0.71073","MoKα","","0.1161","0.0412","","","0.0671","0.0809","","","","","","0.996","","","","has coordinates","263436","2021-03-30","08:21:00",""
"1562161","13.9189","0.0006","13.9189","0.0006","23.7641","0.0011","90","","90","","90","","4604","0.4","100","2","100","2","","","","","","","","4","I 4 c m","I 4 -2c","108","","","","- Ag10 Ba9 S24 U4 -","- Ag10 Ba9 S24 U4 -","- Ag40 Ba36 S96 U16 -","4","0.25","","Mesbah, Adel; Stojko, Wojciech; Lebègue, Sébastien; Malliakas, Christos D.; Frazer, Laszlo; Ibers, James A.","The U5+ compound Ba9Ag10U4S24: Synthesis, structure, and electronic properties","Journal of Solid State Chemistry","2015","221","","398","404","10.1016/j.jssc.2014.10.014","","","0.71073","MoKα","","0.0257","0.0227","","","0.0447","0.0454","","","","","","1.61","","","","has coordinates","264588","2021-04-27","09:25:31",""
"2002219","8.623","","8.623","","5.909","","90","","90","","90","","439.4","","","","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","Dibismuth palladate","","- Bi2 O4 Pd -","- Bi2 O4 Pd -","- Bi8 O16 Pd4 -","4","0.25","","Arpe, R; Mueller-Buschbaum, Hk","Zur Kenntnis von Bi2 Pd O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1976","31","","1708","1709","","","","","","","0.127","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2101451","14.07","0.02","14.07","0.02","7.3","0.01","90","","90","","90","","1445","4","160","1","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","","","- Al3 F19 Pb5 -","- Al3 F19 Pb5 -","- Al12 F76 Pb20 -","4","0.25","MD0001","Sarraute, S.; Ravez, J.; Von der Mühll, R.; Bravic, G.; Feigelson, R. S.; Abrahams, S. C.","Structure of ferroelectric Pb~5~Al~3~F~19~ at 160 K, polarization reversal and relationship to ferroelectric Pb~5~Cr~3~F~19~ at 295 K","Acta Crystallographica Section B","1996","52","1","72","77","10.1107/S0108768195008366","","","0.71073","Mo","","","0.0527","","","0.048","","","","","1.065","1.065","","","","","has coordinates","208225","2020-10-21","18:00:00",""
"2101595","9.353","0.005","9.353","0.005","7.241","0.006","90","","90","","90","","633.4","0.7","","","","","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- Al F5 H4 Hg2 O4 -","- Al4 F20 Hg8 O8 -","- Al4 F20 Hg8 O8 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","208225","2020-10-21","18:00:00",""
"2101596","15.525","0.003","15.525","0.003","7.794","0.003","90","","90","","90","","1878.6","0.9","","","","","","","","","","","","4","I 4 c m","I 4 -2c","108","","","","- F18 Nb3 O Rb5 -","- F72 Nb12 O4 Rb20 -","- F72 Nb12 O4 Rb20 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","208225","2020-10-21","18:00:00",""
"2107206","14.384","","14.384","","7.408","","90","","90","","90","","1532.71","","","","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","Pb5 Cr3 F19","","- Cr3 F19 Pb5 -","- Cr3 F19 Pb5 -","- Cr12 F76 Pb20 -","4","0.25","","Abrahams, S.C.; Albertsson, J.; Svensson, C.; Ravez, J.","Structure of Pb5 Cr3 F19 at 295 K, reversal polarization and the 555 K phase transition","Acta Crystallographica B (39,1983-)","1990","46","","497","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","168301","2020-10-21","18:00:00",""
"4001289","24.9728","0.0006","24.9728","0.0006","9.8957","0.0002","90","","90","","90","","6171.4","0.2","200","2","200","2","","","","","","","synthesis as described","5","I 4 c m","I 4 -2c","108","","","","- C30 H112 Ge36 N10 O92 -","- C30 H112 Ge36 N10 O92 -","- C60 H224 Ge72 N20 O184 -","2","0.125","","Attfield, Martin P.; Al-Ebini, Yousef; Pritchard, Robin G.; Andrews, Ellen M.; Charlesworth, Richard J.; Hung, Wan; Masheder, Ben J.; Royal, Drew S.","Synthesis and Characterization of a Novel Germanate Material Containing 16-Ring Channels and Templated by a Simple Primary Amine","Chemistry of Materials","2007","19","2","316","","10.1021/cm062241x","","x-ray","0.71073","MoKα","","0.0347","0.027","","","0.0577","0.0598","","","","","","0.973","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002553","10.1727","","10.1727","","10.1313","","90","","90","","90","","1048.43","","","","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","Zr4 O5 N2","","- N2 O5 Zr4 -","- N2.06 O4.94 Zr4 -","- N16.48 O39.52 Zr32 -","8","0.5","","Michie, C.W.; Claridge, J.B.; Clarke, S.J.; Rosseinsky, M.J.","Zr4 O5 N2 - intergrowth of fluorite and bixbyite anion layers formed by coupled site-selective anion and vacancy ordering","Chemistry of Materials (1,1989-)","2003","15","","1547","1553","","","","","","","","","","","","","","","","","","","","","","has coordinates","158893","2020-10-21","18:00:00",""
"4121854","21.682","0.011","21.682","0.011","15.696","0.008","90","","90","","90","","7379","6","100","","100","2","","","","","","","","7","I 4 c m","I 4 -2c","108","FRPCP","","","- C44 H44 Cu F6 N6 O6 Si -","- C44 H44 Cu F6 N6 O6 Si -","- C176 H176 Cu4 F24 N24 O24 Si4 -","4","0.25","","Li, Liangchun; Matsuda, Ryotaro; Tanaka, Iku; Sato, Hiroshi; Kanoo, Prakash; Jeon, Hyung Joon; Foo, Maw Lin; Wakamiya, Atsushi; Murata, Yasujiro; Kitagawa, Susumu","A crystalline porous coordination polymer decorated with nitroxyl radicals catalyzes aerobic oxidation of alcohols.","Journal of the American Chemical Society","2014","136","21","7543","7546","10.1021/ja5019095","","","0.71073","MoKα","","0.1333","0.1145","","","0.2258","0.2378","","","","","","1.067","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4306125","14.3372","0.0003","14.3372","0.0003","7.4346","0.0002","90","","90","","90","","1528.22","0.06","298","","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","Pentalead Trigallium Fluoride","","- F19 Ga3 Pb5 -","- F19 Ga3 Pb5 -","- F76 Ga12 Pb20 -","4","0.25","","Charlotte Martineau; Franck Fayon; Christophe Legein; Jean-Yves Buzaré; François Goutenoire; Emmanuelle Suard","Neutron Powder Diffraction, Multinuclear, and Multidimensional NMR Structural Investigation of Pb5Ga3F19","Inorganic Chemistry","2008","47","","10895","10905","10.1021/ic801044j","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4306126","14.3369","0.0003","14.3369","0.0003","7.4344","0.0002","90","","90","","90","","1528.12","0.06","298","","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","Pentalead Trigallium Fluoride","","- F19 Ga3 Pb5 -","- F19 Ga3 Pb5 -","- F76 Ga12 Pb20 -","4","0.25","","Charlotte Martineau; Franck Fayon; Christophe Legein; Jean-Yves Buzaré; François Goutenoire; Emmanuelle Suard","Neutron Powder Diffraction, Multinuclear, and Multidimensional NMR Structural Investigation of Pb5Ga3F19","Inorganic Chemistry","2008","47","","10895","10905","10.1021/ic801044j","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4312256","29.6755","0.0004","29.6755","0.0004","6.9857","0.0001","90","","90","","90","","6151.85","0.15","293","2","293","2","","","","","","","","7","I 4 c m","I 4 -2c","108","","","","- C20 H25.5 Cl1.5 Cu2 I3.38 N4 O13.5 -","- C20 H16 Cl1.5 Cu2 I3.375 N4 O13.5 -","- C160 H128 Cl12 Cu16 I27 N32 O108 -","8","0.5","","Guanghua Li; Zhan Shi; Xiaomin Liu; Zhimin Dai; Lu Gao; Shouhua Feng","A New Inorganic-Organic Hybrid Copper Iodate with Potentially Large Void Volume","Inorganic Chemistry","2004","43","","8224","8226","10.1021/ic049098z","","","0.71073","MoKα","","0.029","0.0272","","","0.0771","0.0786","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328986","28.368","0.003","28.368","0.003","33.958","0.004","90","","90","","90","","27327","5","100","2","100","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C45 H25 N15 O12 Zn5 -","- C45 H25 N15 O12 Zn5 -","- C360 H200 N120 O96 Zn40 -","8","0.5","","Wen-Yang Gao; Wuming Yan; Rong Cai; Le Meng; Andrea Salas; Xi-Sen Wang; Lukasz Wojtas; Xiaodong Shi; Shengqian Ma","Porous Double-Walled Metal Triazolate Framework Based upon a Bifunctional Ligand and a Pentanuclear Zinc Cluster Exhibiting Selective CO2 Uptake","Inorganic Chemistry","2012","51","","4423","4425","10.1021/ic3002256","","","0.41328","synchrotron","","0.0708","0.0534","","","0.1422","0.1502","","","","","","1.059","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4330502","19.9023","0.0013","19.9023","0.0013","19.6805","0.0014","90","","90","","90","","7795.5","0.9","100","2","100","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C33 H50 Co3 N6 P3 -","- C33 H50 Co3 N6 P3 -","- C264 H400 Co24 N48 P24 -","8","0.5","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.0575","0.0485","","","0.1235","0.1295","","","","","","1.002","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4335636","8.7577","0.0015","8.7577","0.0015","12.429","0.003","90","","90","","90","","953.3","0.3","200","2","200","2","","","","","","","","5","I 4 c m","I 4 -2c","108","beta-Methylammonium_Tin_Iodide","","","- C H6 I3 N Sn -","- C I3 N Sn -","- C4 I12 N4 Sn4 -","4","0.25","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0639","0.0637","","","0.1442","0.1443","","","","","","1.142","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335638","8.849","0.002","8.849","0.002","12.642","0.002","90","","90","","90","","989.9","0.4","293","2","293","2","","","","","","","","5","I 4 c m","I 4 -2c","108","beta-Methylammonium_Lead_Triiodide","","","- C H6 I3 N Pb -","- C I3 N Pb -","- C4 I12 N4 Pb4 -","4","0.25","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0418","0.0378","","","0.0865","0.0879","","","","","","1.268","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335641","8.8552","0.0006","8.8552","0.0006","12.5353","0.0012","90","","90","","90","","982.95","0.13","293","2","293","2","","","","","","","","6","I 4 c m","I 4 -2c","108","beta-Methylammonium_Tin_Lead_Iodide","","","- C H3 I3 N Pb0.57 Sn0.43 -","- C I3 N Pb0.569 Sn0.431 -","- C4 I12 N4 Pb2.276 Sn1.724 -","4","0.25","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0809","0.0678","","","0.1732","0.1809","","","","","","1.162","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4337077","20.78","0.003","20.78","0.003","17.677","0.004","90","","90","","90","","7633","2","293","2","293","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C18 H6 N0 O16 Zn3 -","- C18 H6 O16 Zn3 -","- C144 H48 O128 Zn24 -","8","0.5","","Gao, Junkuo; Ye, Kaiqi; Yang, Ling; Xiong, Wei-Wei; Ye, Ling; Wang, Yue; Zhang, Qichun","Growing Crystalline Zinc-1,3,5-benzenetricarboxylate Metal-Organic Frameworks in Different Surfactants.","Inorganic chemistry","2014","53","2","691","693","10.1021/ic402692p","","","0.71073","MoKα","","0.1132","0.0876","","","0.2498","0.2701","","","","","","1.032","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4348335","20.796","0.003","20.796","0.003","17.869","0.004","90","","90","","90","","7728","2","293","2","293","2","","","","","","","","6","I 4 c m","I 4 -2c","108","","JUC155","","- C21 H7 Co2 N O15 Zn -","- C21 H7 Co2 N O15 Zn -","- C168 H56 Co16 N8 O120 Zn8 -","8","0.5","","Chen, Siru; Xue, Ming; Li, Yanqiang; Pan, Ying; Zhu, Liangkui; Zhang, Daliang; Fang, Qianrong; Qiu, Shilun","Porous ZnCo2O4 nanoparticles derived from a new mixed-metal organic framework for supercapacitors","Inorganic Chemistry Frontiers","2015","2","2","177","","10.1039/C4QI00167B","","","0.71073","MoKα","","0.085","0.0787","","","0.1679","0.1721","","","","","","1.009","","","","has coordinates","232879","2020-10-21","18:00:00",""
"4348515","20.328","0.009","20.328","0.009","17.91","0.008","90","","90","","90","","7401","6","298","2","298","2","","","","","","","","6","I 4 c m","I 4 -2c","108","","","","- C23 H27 Co0.5 N2 O16.5 Zn2.5 -","- C23 H21 Co0.5 N2 O16.5 Zn2.5 -","- C184 H168 Co4 N16 O132 Zn20 -","8","0.5","","Pariyar, Anand; Yaghoobnejad Asl, Hooman; Choudhury, Amitava","Tetragonal versus Hexagonal: Structure-Dependent Catalytic Activity of Co/Zn Bimetallic Metal-Organic Frameworks.","Inorganic chemistry","2016","55","18","9250","9257","10.1021/acs.inorgchem.6b01288","","","0.71073","MoKα","","0.0882","0.0639","","","0.1586","0.1778","","","","","","1.085","","","","has coordinates","233045","2020-10-21","18:00:00",""
"4500662","23.0586","0.0018","23.0586","0.0018","7.4775","0.0008","90","","90","","90","","3975.8","0.6","100","2","100","2","","","","","","","","3","I 4 c m","I 4 -2c","108","1,3,5-tris(4-hydroxyphenyl)mesitylene","1,3,5-tris(4-hydroxyphenyl)mesitylene","","- C27 H24 O3 -","- C28 H24 O3 -","- C224 H192 O24 -","8","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.0447","0.0401","","","0.0996","0.1027","","","","","","1.046","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4518042","8.8921","0.0013","8.8921","0.0013","12.604","0.003","90","","90","","90","","996.6","0.3","293","","293","","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.25","","Gao, Lili; Li, Xiaotong; Liu, Yan; Fang, Junjie; Huang, Sheng; Spanopoulos, Ioannis; Li, Xiaolei; Wang, Yao; Chen, Lin; Yang, Guanjun; Kanatzidis, Mercouri G.","Incorporated Guanidinium Expands the CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Lattice and Enhances Photovoltaic Performance.","ACS applied materials & interfaces","2020","12","39","43885","43891","10.1021/acsami.0c14925","","x-ray","0.71359","X-ray","","0.1199","0.1091","","","0.126","0.1263","","","","7.55","7.55","7.05","","","","has coordinates","256982","2020-10-21","18:00:00",""
"4518043","8.8934","0.0013","8.8934","0.0013","12.671","0.003","90","","90","","90","","1002.2","0.3","293","","293","","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.25","","Gao, Lili; Li, Xiaotong; Liu, Yan; Fang, Junjie; Huang, Sheng; Spanopoulos, Ioannis; Li, Xiaolei; Wang, Yao; Chen, Lin; Yang, Guanjun; Kanatzidis, Mercouri G.","Incorporated Guanidinium Expands the CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Lattice and Enhances Photovoltaic Performance.","ACS applied materials & interfaces","2020","12","39","43885","43891","10.1021/acsami.0c14925","","x-ray","0.71073","MoKα","","0.0989","0.0904","","","0.1076","0.1084","","","","7.01","7.01","6.66","","","","has coordinates","256982","2020-10-21","18:00:00",""
"6000508","14.689","","14.689","","7.703","","90","","90","","90","","1662.05","","","","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","","","- Ba5 F19 Mn3 -","- Ba5 F19 Mn3 -","- Ba20 F76 Mn12 -","4","0.25","","Dahlke, P.; Graulich, J.; Welsch, M.; Pebler, J.; Babel, D.","Structural and magnetochemical studies of Ba5Mn3F19 and related compounds A(5)(II)M(3)(III)F(19)","Zeitschrift Fur Anorganische Und Allgemeine Chemie","2000","626","","1255","1263","10.1002/(SICI)1521-3749(200005)626:5<1255::AID-ZAAC1255>3.0.CO;2-J","","","","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"7046412","11.8998","0.0004","11.8998","0.0004","13.2632","0.0005","90","","90","","90","","1878.14","0.11","293","2","293","2","","","","","","","","6","I 4 c m","I 4 -2c","108","","Mn2Moformate","","- C18 H2 Mn4 Mo2 N18 O14 -","- C18 H2 Mn4 Mo2 N18 O14 -","- C36 H4 Mn8 Mo4 N36 O28 -","2","0.125","","Handzlik, Gabriela; Sieklucka, Barbara; Pinkowicz, Dawid","Cross-linking of cyanide magnetic coordination polymers by rational insertion of formate, cyanide or azide.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11888","11894","10.1039/c8dt01513a","","","0.71073","MoKα","","0.0268","0.023","","","0.0503","0.0518","","","","","","1.13","","","","has coordinates,has disorder","229984","2020-10-21","18:00:00",""
"7046413","12.0732","0.0001","12.0732","0.0001","13.4352","0.0003","90","0.003","90","0.003","90","0.003","1958.34","0.05","293","2","293","2","","","","","","","","6","I 4 c m","I 4 -2c","108","","Mn2Nbformate","","- C18 H2 Mn4 N18 Nb2 O14 -","- C18 H2 Mn4 N18 Nb2 O14 -","- C36 H4 Mn8 N36 Nb4 O28 -","2","0.125","","Handzlik, Gabriela; Sieklucka, Barbara; Pinkowicz, Dawid","Cross-linking of cyanide magnetic coordination polymers by rational insertion of formate, cyanide or azide.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11888","11894","10.1039/c8dt01513a","","","0.71073","MoKα","","0.0339","0.0296","","","0.0756","0.0793","","","","","","1.072","","","","has coordinates,has disorder","229984","2020-10-21","18:00:00",""
"7124344","8.0211","0.0004","8.0211","0.0004","6.2888","0.0008","90","","90","","90","","404.61","0.06","296","2","296.15","","","","","","","","","4","I 4 c m","I 4 -2c","108","","","","- Ba0.81 Ga2 K0.38 Se4 -","- Ba0.806 Ga2 K0.38 Se4 -","- Ba1.612 Ga4 K0.76 Se8 -","2","0.125","","Li, Ya-Nan; Chi, Yang; Sun, Zong-Dong; Xue, Huaiguo; Suen, Nian-Tzu; Guo, Sheng-Ping","Partial substitution induced centrosymmetric to noncentrosymmetric structure transformation and promising second-order nonlinear optical properties of (K0.38Ba0.81)Ga2Se4","Chemical Communications","2019","","","","","10.1039/C9CC07112A","","","0.71073","MoKα","","0.038","0.0379","","","0.0943","0.0944","","","","","","1.188","","","","has coordinates","219428","2020-10-21","18:00:00",""
"7218931","8.896","0.003","8.896","0.003","12.637","0.004","90","","90","","90","","1000.1","0.6","293","2","293","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C I3 N Pb -","- C4 I12 N4 Pb4 -","4","0.25","","Dang, Yangyang; Liu, Yang; Sun, Youxuan; Yuan, Dongsheng; Liu, Xiaolong; Lu, Weiqun; Liu, Guangfeng; Xia, Haibing; Tao, Xutang","Bulk crystal growth of hybrid perovskite material CH3NH3PbI3","CrystEngComm","2015","17","3","665","","10.1039/C4CE02106A","","","0.71073","MoKα","","0.071","0.0644","","","0.1468","0.1494","","","","","","1.223","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7221364","8.055","","8.055","","15.688","","90","","90","","90","","1017.89","","","","","","","","","","","","","2","I 4 c m","I 4 -2c","108","","Sr5 Si3","","- Si3 Sr5 -","- Si3 Sr5 -","- Si12 Sr20 -","4","0.25","","Nagorsen, G.; Rocktaeschel, G.; Schaefer, H.; Weiss, A.","Die Kristallstruktur der Phase Sr5 Si3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","101","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","149647","2020-10-21","18:00:00",""
"7222301","20.5138","0.001","20.5138","","17.81","0.0008","90","","90","","90","","7494.7","0.5","293","2","293","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C25 H37 N3 O18 Zn3 -","- C21 H15 N O15 Zn3 -","- C168 H120 N8 O120 Zn24 -","8","0.5","","liu, jianqiang; Wang, Jiaping; Jin, Juncheng; Li, Fumei; Li, Baohong; Jin, Jie; Wang, Chun-Feng; Zeng, Yong-Ping; Wang, Yu-Kun","A combined experimental and theoretical insight into the drug delivery of nanoporous metal-organic frameworks","RSC Adv.","2015","","","","","10.1039/C5RA12543J","","","0.71073","MoKα","","0.0357","0.0319","","","0.09","0.0924","","","","","","1.092","","","","has coordinates,has disorder","158422","2020-10-21","18:00:00",""
"7222507","11.6318","","11.6318","","19.2018","","90","","90","","90","","2597.98","","","","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","Ce Ni1.91 As1.94","","- As1.94 Ce Ni1.91 -","- As1.94138 Ce Ni1.90788 -","- As62.124 Ce32 Ni61.052 -","32","2","","Babizhet'sky, V.S.; le Fur, E.; Pivan, J.Y.; Guerin, R.","Crystal structure of the ternary arsenide Ce Ni1.91 As1.94","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1359","1366","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7710936","11.00109","0.00008","11.00109","0.00008","17.2226","0.0002","90","","90","","90","","2084.35","0.03","95","2","95","2","","","","","","","","6","I 4 c m","I 4 -2c","108","","","","- C18 H24 Cu F6 N4 P -","- C18 H24 Cu F6 N4 P -","- C72 H96 Cu4 F24 N16 P4 -","4","0.25","","Karimata, Ayumu; Gridneva, Tatiana; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Garcia-Roca, Alèria; Khusnutdinova, Julia R.","Ethylene binding in mono- and binuclear CuI complexes with tetradentate pyridinophane ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02180C","","x-ray","1.54184","CuKα","","0.0266","0.026","","","0.0712","0.0716","","","","","","1.081","","","","has coordinates","277177","2022-08-09","22:46:37",""