# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T13:58:17+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 1 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
"1100575","10.8627","0.0015","18.8232","0.0019","11.577","0.0009","90","","93.63","0.006","90","","2362.41","","","","","","","","","","","","","7","I 1 m 1","I -2y","8","","","","- C30 H72 Cl4 N6 O Si3 Ti3 -","- C63 H164 Cl6 N10 O Si5 Ti5 -","- C126 H328 Cl12 N20 O2 Si10 Ti10 -","2","0.5","","Mommertz, Andreas; Leo, Roland; Massa, Werner; Harms, Klaus; Dehnicke, Kurt","Synthese eines Titana-Oxacyclohexanringes durch kontrollierte Ringöffnung von Tetrahydrofuran. Kristallstrukturen von [Ti(CH~2~)~4~O{Me~2~Si(NBut)~2~}]~2~, [TiCl{Me~2~Si(NBut)~2~}]~3~(μ~3~-O)(μ~3~-Cl) und [Li~2~(THF)~3~{Me~2~Si(NBut)~2~}]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","10","1647","1652","10.1002/(sici)1521-3749(199810)624:10<1647::aid-zaac1647>3.0.co;2-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176961","2020-10-21","18:00:00",""
"1510869","5.874","","10.403","","8.359","","90","","90.17","","90","","510.793","","","","","","","","","","","","","2","I 1 m 1","I -2y","8","","Na2 B29","","- B29 Na2 -","- B29 Na2 -","- B58 Na4 -","2","0.5","","Eckert, H.; Fild, C.; Gruehn, R.; Albert, B.; Hofmann, K.; Schleifer, M.","""Na B15"": a new structural description based on X-ray and neutron diffraction, electron microscopy, and solid-state NMR spectroscopy","Chemistry - A European Journal","2000","6","","2531","2536","10.1002/1521-3765(20000717)6:14<2531::AID-CHEM2531>3.0.CO;2-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1530263","5.688","","10.28","","3.42","","90","","91.4","","90","","199.917","","","","","","","","","","","","","3","I 1 m 1","I -2y","8","","Cd (O H)2","","- Cd H2 O2 -","- Cd O2 -","- Cd4 O8 -","4","1","","Lecerf, A.; Riou, A.; Cudennec, Y.; Gerault, Y.; Chanson, C.","Etude physico-chimique et structurale de l'hydroxyde de cadmium gamma Cd (O H)2","Materials Research Bulletin","1988","23","","1479","1490","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533905","10.4036","","8.4055","","4.7357","","90","","91.538","","90","","413.976","","","","","","","","","","","","","3","I 1 m 1","I -2y","8","","","","- Mo1.812 Ni1.188 P -","- Mo1.8125 Ni1.1875 P -","- Mo14.5 Ni9.5 P8 -","8","2","","Orishchin, S.V.; Kuz'ma, Yu.B.; Guerin, P.; Zhak, O.V.; Deputier, S.","Structure of Mo2.0-x Ni1.0+x P (x=0.2) and some crystal-chemical features of ternary phases in the Mo - Ni - P system","Neorganicheskie Materialy","2002","38","","1415","1422","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537042","5.664","","10.223","","3.404","","90","","91.52","","90","","197.033","","","","","","","","","","","","","3","I 1 m 1","I -2y","8","","Cd2 O (O H)2 (H2 O)","","- Cd2 H4 O4 -","- Cd2 H4 O4 -","- Cd4 H8 O8 -","2","0.5","","Riou, A.; Gerault, Y.; Cudennec, Y.","Etude structurale de gamma-Cd (O H)2 ou Cd2 O (O H)2 (H2 O)","Materials Research Bulletin","1990","25","","987","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537177","11.388","","16.64","","11.424","","90","","93.63","","90","","2160.46","","","","","","","","","","","","","4","I 1 m 1","I -2y","8","","Pb5 Bi17 P5 O43","","- Bi17 O43 P5 Pb5 -","- Bi17 O43 P5 Pb5 -","- Bi34 O86 P10 Pb10 -","2","0.5","","Roussel, P.; Giraud, S.; Wignacourt, J.P.; Suard, E.; Steinfink, H.","A new fluorite type compound Pb5 Bi17 X5 O43: synchrotron and neutron structure determination (X = P) and conduction properties (X = P, V, As)","Solid State Sciences","2002","4","","1143","1152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2009492","12.188","0.002","16.518","0.003","5.908","0.001","90","","102.57","0.01","90","","1160.9","0.3","293","","293","","","","","","","","","6","I 1 m 1","I -2y","8","","Disodium Bis(chloranilato)uranyl(VI) Hexahydrate","","- C12 H12 Cl4 Na2 O16 U -","- C12 H12 Cl4 Na2 O16 U -","- C24 H24 Cl8 Na4 O32 U2 -","2","0.5","SE1025","Bram, Andreas; Bruederl, Georg; Burzlaff, Hans; Lange, Joachim; Rothammel, Walter; Spengler, Roland; Karayannis, M.I.; Veltsistas, P.G.","Disodium bis(<i>o</i>-chloranilato)uranyl(VI) hexahydrate","Acta Crystallographica Section C","1994","50","2","178","180","10.1107/S0108270193011680","","","0.7093","MoKα~1~","","","0.016","","","0.019","","","","","1.76","1.76","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101205","12.217","0.002","16.543","0.003","5.9206","0.0001","90","","102.57","0.01","90","","1167.9","0.3","","","","","","","","","","","","6","I 1 m 1","I -2y","","","","","- C6 H12 Cl2 Na2 O12 U -","- C12 H12 Cl4 Na2 O16 U -","- C24 H24 Cl8 Na4 O32 U2 -","2","0.5","SE0140","Spengler, R.; Zimmermann, H.; Burzlaff, H.; Jansen, J.; Peschar, R.; Schenk, H.","<i>Ab initio</i> structure determination from powder data using direct methods","Acta Crystallographica Section B","1994","50","5","578","582","10.1107/S010876819400306X","","","","","","","","","","","","","","","","","","","","","has coordinates","189249","2020-10-21","18:00:00",""
"2102491","6.8182","0.001","26.876","0.005","5.936","0.001","90","","121.42","","90","","928.2","0.3","","","","","","","","","","","","3","I 1 m 1","I -2y","8","","","","- H15 O10.5 S -","- H15 O10.5 S -","- H60 O42 S4 -","4","1","NA5005","Hirsch, Tomas K.; Ojamäe, Lars","An investigation of H-atom positions in sulfuric acid crystal structures","Acta Crystallographica Section B","2004","60","2","179","183","10.1107/S0108768104000540","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102492","6.8182","0.001","26.876","0.005","5.936","0.001","90","","121.42","","90","","928.2","0.3","","","","","","","","","","","","3","I 1 m 1","I -2y","8","","","","- H15 O10.5 S -","- H15 O10.5 S -","- H60 O42 S4 -","4","1","NA5005","Hirsch, Tomas K.; Ojamäe, Lars","An investigation of H-atom positions in sulfuric acid crystal structures","Acta Crystallographica Section B","2004","60","2","179","183","10.1107/S0108768104000540","","","0.71073","MoKα","","","","","","","","","","","","","","","","warnings","has coordinates","249446","2020-10-21","18:00:00",""
"2201420","6.271","0.002","27.205","0.003","9.871","0.002","90","","97.29","0.01","90","","1670.4","0.7","122","1","122","1","","","","","","","","7","I 1 m 1","I -2y","8","","","","- C0.73 H47.19 Cl2.27 N15 O18 Rh3 S6 -","- C0.73 H45 Cl2.27 N15 O18 Rh3 S6 -","- C1.46 H90 Cl4.54 N30 O36 Rh6 S12 -","2","0.5","CM6013","Harris, Pernille; Kofod, Pauli","A methyl-coordinated Rh^<b>III^</b> ion in methylpentaamminerhodium(III)‒chloropentaamminerhodium(III)‒dithionate (0.73/2.27/3)","Acta Crystallographica Section E","2002","58","8","m460","m462","10.1107/S1600536802013466","","","0.71073","MoKα","","0.0374","0.0361","","","0.1002","0.102","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2310422","5.67","","10.25","","3.41","","90","","91.4","","90","","198.122","","","","","","","","","","","","","3","I 1 m 1","I -2y","8","","Cd (O H)2","","- Cd H2 O2 -","- Cd O2 -","- Cd4 O8 -","4","1","","de Wolff, P.M.","The crystal structure of gamma- Cd (O H)2","Acta Crystallographica (1,1948-23,1967)","1966","21","","432","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001045","11.579","0.003","5.476","0.001","59.015","0.002","90","","90.28","0.02","90","","3741.9","1.2","300","","293","","","","","","","","","4","I 1 m 1","I -2y","8","","","","- Bi14.32 O42 P7 Zn1.99 -","- Bi14.31 O41 P7 Zn1.9936 -","- Bi57.24 O164 P28 Zn7.9744 -","4","1","","Huvé, Marielle; Colmont, Marie; Lejay, Julien; Aschehoug, Patrick; Mentré, Olivier","Building Units and Intergrowths: Toward the Design of an Extended Family of Acentric Bi-Based Materials with Second Harmonic Generacy","Chemistry of Materials","2009","21","17","4019","","10.1021/cm901466e","","","0.71069","MoKα","","0.1107","0.0817","","","0.0774","0.0984","","","","2.48","2.48","2.51","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115681","18.51","0.003","13.4478","0.0018","7.6928","0.001","90","","101.552","0.003","90","","1876.1","0.5","290","2","290","2","","","","","","","","6","I 1 m 1","I -2y","8","ITQ4","","","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","1","0.25","","Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris","The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media","Journal of the American Chemical Society","2001","123","","8797","8805","10.1021/ja016113f","","","0.6994","","","0.0577","0.0525","","","0.1316","0.135","","","","","","1.05","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115682","18.571","0.0008","13.4943","0.0006","7.7153","0.0003","90","","102.302","0.001","90","","1889.08","0.14","30","2","30","2","","","","","","","","6","I 1 m 1","I -2y","8","","","","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","1","0.25","","Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris","The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media","Journal of the American Chemical Society","2001","123","","8797","8805","10.1021/ja016113f","","","0.6448","","","0.0505","0.0479","","","0.1294","0.1325","","","","","","1.096","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4116095","18.51","0.003","13.4478","0.0018","7.6928","0.001","90","","101.552","0.003","90","","1876.1","0.5","290","2","290","2","","","","","","","","6","I 1 m 1","I -2y","8","ITQ4","","","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","1","0.25","","Ivor Bull; Luis A. Villaescusa; Simon J. Teat; Miguel A. Camblor; Paul A. Wright; Philip Lightfoot; Russell E. Morris","Imposition of Polarity on a Centrosymmetric Zeolite Host: The Effect of Fluoride Ions on Template Ordering in Zeolite IFR","Journal of the American Chemical Society","2000","122","","7128","7129","10.1021/ja000885e","","","0.6994","","","0.0577","0.0525","","","0.1316","0.135","","","","","","1.05","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116096","18.571","0.0008","13.4943","0.0006","7.7153","0.0003","90","","102.302","0.001","90","","1889.08","0.14","30","2","30","2","","","","","","","","6","I 1 m 1","I -2y","8","","","","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","1","0.25","","Ivor Bull; Luis A. Villaescusa; Simon J. Teat; Miguel A. Camblor; Paul A. Wright; Philip Lightfoot; Russell E. Morris","Imposition of Polarity on a Centrosymmetric Zeolite Host: The Effect of Fluoride Ions on Template Ordering in Zeolite IFR","Journal of the American Chemical Society","2000","122","","7128","7129","10.1021/ja000885e","","","0.6448","","","0.0505","0.0479","","","0.1294","0.1325","","","","","","1.096","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4134560","16.2885","0.0012","25.4252","0.0016","9.9795","0.0006","90","","92.951","0.006","90","","4127.4","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Sn2 -","- C6 H10 I6 N2 Sn2 -","- C48 H80 I48 N16 Sn16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.055","0.0339","","","0.0306","0.0321","","","","1.48","1.48","1.34","","","","has coordinates","249750","2020-10-21","18:00:00",""
"4134562","16.3185","0.0012","25.4637","0.0016","10.0068","0.0006","90","","92.49","0.006","90","","4154.2","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Sn2 -","- C6 H10 I6 N2 Sn2 -","- C48 H80 I48 N16 Sn16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0741","0.0557","","","0.0939","0.0952","","","","4.84","4.84","4.34","","","","has coordinates","249752","2020-10-21","18:00:00",""
"4134563","16.2208","0.0012","25.4537","0.0016","10.0307","0.0006","90","","91.466","0.006","90","","4140.1","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Sn2 -","- C6 H10 I6 N2 Sn2 -","- C48 H80 I48 N16 Sn16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0979","0.0705","","","0.0688","0.0699","","","","3.53","3.53","3.14","","","","has coordinates","249753","2020-10-21","18:00:00",""
"4134564","16.3397","0.0012","25.552","0.0016","10.0204","0.0006","90","","93.13","0.006","90","","4177.4","0.5","293","","293","","","","","","","","","6","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Pb0.91 Sn1.09 -","- C6 H10 I6 N2 Pb0.9045 Sn1.0955 -","- C48 H80 I48 N16 Pb7.236 Sn8.764 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0831","0.0523","","","0.071","0.0728","","","","3.31","3.31","2.87","","","","has coordinates","249754","2020-10-21","18:00:00",""
"4134565","16.3698","0.0012","25.6376","0.0016","10.0435","0.0006","90","","93.198","0.006","90","","4208.5","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Pb2 -","- C6 H10 I6 N2 Pb2 -","- C48 H80 I48 N16 Pb16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0598","0.0542","","","0.0595","0.0598","","","","3.53","3.53","3.35","","","","has coordinates","249755","2020-10-21","18:00:00",""
"6000109","11.9022","0.0001","5.553","0.0001","7.3401","0.0001","90","","90.091","0.001","90","","485.13","","","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- Ba2 Cd H O11 P3 -","- Ba2 Cd O11 P3 -","- Ba4 Cd2 O22 P6 -","2","0.5","","Ben Taher, L.; Smiri, L.; Laligant, Y.; Le Bail, A.","Investigation of mixed divalent cation phosphates: synthesis and X-ray powder structure determination of CdBa2(P2O7)(HPO4)","Solid State Sciences","2000","2","","285","292","10.1016/S1293-2558(00)00126-6","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.037","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"7021584","10.6873","0.0011","32.019","0.004","14.1789","0.0019","90","","104.476","0.013","90","","4697.9","1","120","","120","","","","","","","","","6","I 1 m 1","I -2y","8","","","","- C36.67 H31 Cl Ir N3 O2.33 -","- C36.6667 H28.6667 Cl Ir N3 O2.33333 -","- C220 H172 Cl6 Ir6 N18 O14 -","6","1.5","","Gildea, Louise F.; Batsanov, Andrei S.; Williams, J. A. Gareth","Bright orange/red-emitting rhodium(iii) and iridium(iii) complexes: tridentate N^C^N-cyclometallating ligands lead to high luminescence efficiencies.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10388","10393","10.1039/c3dt51211h","","x-ray","0.71073","MoKα","K-L~3~","0.0754","0.0504","","","0.0972","0.108","","","","","","1.024","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7040156","10.7","0.002","16.893","0.004","17.361","0.004","90","","98.845","0.006","90","","3100.8","1.2","100","2","100","2","","","","","","","","7","I 1 m 1","I -2y","8","","","","- C51 H59 B4 Co2 F16 N15 O -","- C51 H57 B4 Co2 F16 N15 O -","- C102 H114 B8 Co4 F32 N30 O2 -","2","0.5","","Cho, Yae In; Ward, Meredith L.; Rose, Michael J.","Substituent effects of N4 Schiff base ligands on the formation of fluoride-bridged dicobalt(ii) complexes via B-F abstraction: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13466","13476","10.1039/c6dt02104b","","","0.71073","MoKα","","0.0738","0.055","","","0.1101","0.1203","","","","","","1.046","","","","has coordinates,has disorder","186401","2020-10-21","18:00:00",""
"7100100","9.983","0.002","16.774","0.003","10.608","0.002","90","","92.85","0.03","90","","1774.2","0.6","293","2","293","2","","","","","","","","4","I 1 m 1","I -2y","8","","","","- Bi9 Cl5 H12 O37 -","- Bi9 Cl5 H6 O37 -","- Bi18 Cl10 H12 O74 -","2","0.5","","J.H. Thurston; D.C. Swenson; L. Messerle","","Chemical Communications","2005","","","","","10.1039/b504864h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7232019","8.4041","0.0009","13.3407","0.0016","12.2371","0.0011","90","","95.731","0.009","90","","1365.1","0.3","130","2","130","2","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C12 H14 Br11 N2 Sb -","- C12 H14 Br11 N2 Sb -","- C24 H28 Br22 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0573","0.0555","","","0.1514","0.1539","","","","","","1.044","","","","has coordinates,has disorder","223549","2020-10-21","18:00:00",""
"7232898","5.3219","0.0003","29.6921","0.0019","5.6591","0.0004","90","","99.122","0.004","90","","882.93","0.1","298","2","298","2","","","","","","","synthesis","7","I 1 m 1","I -2y","8","AgLNa*0.5H2O","","","- C20 H28 Ag4 N8 Na4 O18 S4 -","- C5 H6 Ag N2 Na O3.907 S -","- C20 H24 Ag4 N8 Na4 O15.628 S4 -","4","1","","Brenna, Stefano; Ardizzoia, G. Attilio; Colombo, Valentina; Sironi, Angelo","A silver(i) coordination polymer with sodium 3,5-dimethyl-4-sulfonate pyrazolate: a nice example of PXRD structure solution and time-driven crystallization","CrystEngComm","2019","21","31","4586","","10.1039/C9CE00761J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","223674","2020-10-21","18:00:00",""
"7239741","8.9926","0.0004","5.4599","0.0002","9.3958","0.0006","90","","91.5928","0.0018","90","","461.14","0.04","301","2","301","2","","","","","","","","4","I 1 m 1","I -2y","8","","","","- Co0.5 Cs O4 Si1.5 -","- Co0.5 Cs O4 Si1.5 -","- Co2 Cs4 O16 Si6 -","4","1","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0264","0.0209","","","0.0428","0.0457","","","","","","1.15","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239742","8.996","0.002","5.45","0.001","9.381","0.002","90","","90.709","0.017","90","","459.9","0.16","301","2","301","2","","","","","","","","5","I 1 m 1","I -2y","8","","","","- Co0.5 Cs0.86 O4 Rb0.14 Si1.5 -","- Co0.5 Cs0.86 O4 Rb0.14 Si1.5 -","- Co2 Cs3.44 O16 Rb0.56 Si6 -","4","1","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0345","0.0309","","","0.0706","0.0741","","","","","","1.091","","","","has coordinates","257476","2020-10-21","18:00:00",""
"9004960","6.631","","15.195","","10.121","","90","","100.59","","90","","1002.4","","","","","","","","","","","","Scawt Hill, near Larne, County Antrim, Ireland","5","I 1 m 1","I -2y","8","","","Scawtite","- C H4 Ca7 O23 Si6 -","- C H4 Ca7 O23 Si6 -","- C2 H8 Ca14 O46 Si12 -","2","0.5","","Grice, J. D.","The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals","The Canadian Mineralogist","2005","43","","1489","1500","10.2113/gscanmin.43.5.1489","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9009611","4.871","","15.098","","5.433","","90","","98.86","","90","","394.788","","","","","","","","","","","","Moschellandsberg, Palatinate, Germany","4","I 1 m 1","I -2y","8","","","Shakhovite","- H3 Hg4 O6 Sb -","- H3 Hg4 O6 Sb -","- H6 Hg8 O12 Sb2 -","2","0.5","","Tillmanns, E.; Krupp, R.; Abraham, K.","New data on the mercury antimony mineral shakhovite: Chemical composition, unit cell and crystal structure","Tschermaks Mineralogische und Petrographische Mitteilungen","1982","30","","227","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:26",""