# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T08:34:59+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n n 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
"1000335","5.0098","0.0005","4.702","0.0003","8.6118","0.0006","90","","90","","90","","202.9","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","Lithium hydrogen titanium tellurium oxide (.3/1.7/1/1/6)","","- H1.68 Li0.32 O6 Te Ti -","- H0.42 Li0.08 O6 Te Ti -","- H0.84 Li0.16 O12 Te2 Ti2 -","2","0.25","","Crosnier, M P; Delarue, E; Choisnet, J; Fourquet, J L","Li^+^-H^+^ exchange on Li~2~TiTeO~6~","European Journal of Solid State Inorganic Chemistry","1992","39","","321","332","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000345","9.945","0.004","10.277","0.001","9.673","0.001","90","","90","","90","","988.6","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Barium tetraoxooctafluorodivanadate","","- Ba3 F8 O4 V2 -","- Ba3 F8 O4 V2 -","- Ba12 F32 O16 V8 -","4","0.5","","Crosnier-Lopez, M P; Duroy, H; Fourquet, J L","Ba~3~V~2~O~4~F~8~:(V~4~(O,F)~20~)^8-^ tetrameric groups of octahedra inserted in a tridimensional network of (FBa~4~) tetrahedra","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1597","1602","10.1002/zaac.19936190915","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000451","16.49699","0.001","8.6939","0.0005","11.5174","0.0006","90","","90","","90","","1651.9","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","Tetrabarium heptafluoropentaoxodimolybdate tris(hydrogendifluoride) hydrate","","- Ba4 F13 H5 Mo2 O6 -","- Ba4 F13 H10.5 Mo2 O6 -","- Ba16 F52 H42 Mo8 O24 -","4","0.5","","Fourquet, J L; Duroy, H; Crosnier-Lopez, M P","Synthesis and crystal structure of Ba4 Mo2 O5 F7 (H F2)3.H2 O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","439","443","10.1002/zaac.19976230170","","","","","","0.0295","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001407","13.3085","0.0009","14.7382","0.001","6.4615","0.0002","90","","90","","90","","1267.4","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Potassium triniobium trisphosphate oxide","","- K Nb3 O15 P3 -","- K Nb3 O15 P3 -","- K4 Nb12 O60 P12 -","4","0.5","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A Niobium Phosphate Bronze with a Tunnel Structure: K Nb~3~ P~3~ O~15~","Journal of Solid State Chemistry","1989","80","","12","16","10.1016/0022-4596(89)90026-1","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001450","13.4454","0.001","14.8114","0.0011","6.4422","0.0007","90","","90","","90","","1282.9","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Caesium niobium phosphate (1/3/3)","","- Cs Nb3 O15 P3 -","- Cs Nb3 O15 P3 -","- Cs4 Nb12 O60 P12 -","4","0.5","","Borel, M M; Grandin, A; Costentin, G; Leclaire, A; Raveau, B","A new series of bronzes and bronzoids with KNb~3~P~3~O~15~ structure","Materials Research Bulletin","1990","25","","1155","1160","10.1016/0025-5408(90)90145-R","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001461","13.352","0.001","14.76","0.001","6.457","0.007","90","","90","","90","","1272.5","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Rubidium niobium oxide phosphate (1/3/3/3)","","- Nb3 O15 P3 Rb -","- Nb3 O15 P3 Rb -","- Nb12 O60 P12 Rb4 -","4","0.5","","Borel, M M; Benabbas, A; Rebbah, H; Grandin, A; Leclaire, A; Raveau, B","A large family of niobium phosphate bronzes and bronzoids with KNb~3~P~3~O~15~ structure","European Journal of Solid State Inorganic Chemistry","1990","27","","525","535","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004046","23.024","0.01","5.181","0.003","8.9","0.004","90","","90","","90","","1061.7","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Dibarium hexairon(III) oxide","","- Ba2 Fe6 O11 -","- Ba2 Fe6 O11 -","- Ba8 Fe24 O44 -","4","0.5","","Boivin, J C; Thomas, D; Pouillard, G; Perrot, P","Determination de la structure cristalline du ferrite de baryium Ba Fe~6~ O~11~","Journal of Solid State Chemistry","1979","29","","101","108","10.1016/0022-4596(79)90213-5","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005043","6.034","0.001","12.236","0.002","3.888","0.001","90","","90","","90","","287.1","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Dilanthanum dimolybdate(IV)","","- La2 Mo2 O7 -","- La2 Mo2 O7 -","- La4 Mo4 O14 -","2","0.25","","Moini, A; Subramanian, M A; Clearfield, A; DiSalvo, F J; McCarroll, W H","Structure and properties of La2 Mo2 O7: A quasi-twodimensional metallic oxide with strong Mo-Mo bonds","Journal of Solid State Chemistry","1987","66","","136","143","10.1016/0022-4596(87)90228-3","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008033","5.11","0.01","10.3","","6.15","0.01","90","","90","","90","","323.7","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Cobalt uranium oxide (3/2/8)","","- Co3 O8 U2 -","- Co3 O8 U2 -","- Co6 O16 U4 -","2","0.25","","Bacmann, M","Structure cristalline du nouveau compose Co U~2~ O~8~","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1570","1572","10.1107/S0567740873005066","","","","","","0.122","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008902","5.11","0.01","10.3","0","6.15","0.01","90","","90","","90","","323.7","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Tricobalt diuranium(V) oxide - HT","","- Co3 O8 U2 -","- Co3 O8 U2 -","- Co6 O16 U4 -","2","0.25","","Bacmann, M; Lambert-Andron, B","Structures cristallines de Co3 U2 O8 a 300 K et 110 K","Physica Status Solidi, Sectio A: Applied Research","1982","72","","833","837","10.1002/pssa.2210720249","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008903","5.11","0.01","10.3","0","6.15","0.01","90","","90","","90","","323.7","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Tricobalt diuranium(V) oxide - HT","","- Co3 O8 U2 -","- Co3 O8 U2 -","- Co6 O16 U4 -","2","0.25","","Bacmann, M; Lambert-Andron, B","Structures cristallines de Co3 U2 O8 a 300 K et 110 K","Physica Status Solidi, Sectio A: Applied Research","1982","72","","833","837","10.1002/pssa.2210720249","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008935","4.486","","4.537","","3.138","","90","","90","","90","","63.9","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Platinum(IV) oxide - β","","- O2 Pt -","- O2 Pt -","- O4 Pt2 -","2","0.25","","Muller, Olaf; Roy, Rustum","Formation and stability of the platinum and rhodium oxides at high oxygen pressures and the structures of Pt~3~O~4~, β-PtO~2~ and RhO~2~","Journal of the Less-Common Metals","1968","16","2","129","146","10.1016/0022-5088(68)90070-2","","","","","","0.122","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010924","7.76","0.03","7.9","0.03","5.56","0.02","90","","90","","90","","340.9","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Aluminium silicate oxide","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Taylor, W H","The Structure of Andalusite, Al2 Si O5","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1929","71","","205","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010925","8.31","","8.51","","6.06","","90","","90","","90","","428.6","","","","","","","","","","","","from Laurion, Greece","4","P n n m","-P 2 2n","58","","Zinc arsenate hydroxide","Adamite","- As H O5 Zn2 -","- As H1.5 O5 Zn2 -","- As4 H6 O20 Zn8 -","4","0.5","","Kokkoros, P","Ueber die Struktur von Adamin.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","417","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010980","8.43","","8.08","","5.9","","90","","90","","90","","401.9","","","","","","","","","","","","from Libethen, Neusohl, Czechia","4","P n n m","-P 2 2n","58","","Copper phosphate(V) hydroxide","Libethenite","- Cu2 H O5 P -","- Cu2 H1.25 O5 P -","- Cu8 H5 O20 P4 -","4","0.5","","Heritsch, H","Die Struktur des Libethenites Cu2 (O H) (P O4)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1940","102","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011013","4.436","","5.414","","3.381","","90","","90","","90","","81.2","","","","","","","","","","","","from Joplin district, Missouri","2","P n n m","-P 2 2n","58","","Iron(II) duo-disulfide","Marcasite","- Fe S2 -","- Fe S2 -","- Fe2 S4 -","2","0.25","","Buerger, M J","Interatomic Distances in Marcasite and Notes on the Bonding in Crystals of Loellingite, Arsenopyrite, and Marcasite Types.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","97","","504","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011020","4.42","","5.23","","2.87","","90","","90","","90","","66.3","","","","","","","","","","","","from Ilfeld, Harz Mts., Germany","3","P n n m","-P 2 2n","58","","Manganese(III) oxide hydroxide","Manganite","- H Mn O2 -","- H Mn O2 -","- H2 Mn2 O4 -","2","0.25","","Garrido, J","Structure cristalline de la manganite.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1935","200","","69","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011039","6.403","0.05","6.162","0.03","3.687","0.03","90","","90","","90","","145.5","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Tricopper tetrathioarsenate","Enargite","- As Cu3 S4 -","- As Cu3 S4 -","- As Cu3 S4 -","1","0.125","","Takané, Katsutashi","Crystal Structure of Enargite (Cu~3~AsS~4~)","Proceedings of the Imperial Academy (Tokyo)","1933","9","9","524","527","10.2183/pjab1912.9.524","","","","","","","","","","","","","","","","","","","","","has coordinates","176254","2020-10-21","18:00:00",""
"1011121","8.62","","8.2","","5.94","","90","","90","","90","","419.9","","","","","","","","","","","","from Cornwall, England","4","P n n m","-P 2 2n","58","","Copper arsenate(V) hydroxide","Olivenite","- As Cu2 H O5 -","- As Cu2 H1.25 O5 -","- As4 Cu8 H5 O20 -","4","0.5","","Heritsch, H.","Die Struktur des Olivenites Cu~2~OHAsO~4~","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","466","479","10.1524/zkri.1938.99.1.466","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1011280","6.24","","6.43","","4.2","","90","","90","","90","","168.5","","","","","","","","","","","","synthetic","2","P n n m","-P 2 2n","58","","Calcium chloride","Hydrophilite","- Ca Cl2 -","- Ca Cl2 -","- Ca2 Cl4 -","2","0.25","","van Bever, A K; Nieuwenkamp, W","Die Kristallstruktur von Calciumchlorid, Ca Cl2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","374","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100213","19.0073","0.0005","21.8155","0.0004","37.5145","0.0007","90","","90","","90","","15555.5","","","","193","","","","","","","","","3","P n n m","-P 2 2n","58","","nonakis(t-Butyl-gallium(i)) toluene solvate","","- C38.31 H83.64 Ga9 -","- C58 H118 Ga11 -","- C696 H1416 Ga132 -","12","1.5","","Uhl, Werner; Cuypers, Lars; Harms, Klaus; Kaim, Wolfgang; Wanner, Matthias; Winter, Rainer; Koch, Rainer; Saak, Wolfgang","Ga~9~(CMe~3~)~9~, an Important New Building Block in the Structural Chemistry of the Alkylelement(I) Compounds EnRn (E=B-In)","Zeitschrift für Anorganische und Allgemeine Chemie","2001","40","3","566","568","10.1002/1521-3773(20010202)40:3<566::aid-anie566>3.0.co;2-t","","","","","","","4.54","","","4.54","","","","","","","","","","","has coordinates","177561","2020-10-21","18:00:00",""
"1100911","6.207","0.003","11.915","0.005","15.583","0.006","90","","90","","90","","1152.5","0.9","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","Sodium nitroprusside, deuterated","disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide)","","- C5 D4 Fe N6 Na2 O3 -","- C5 D4 Fe N6 Na2 O3 -","- C20 D16 Fe4 N24 Na8 O12 -","4","0.5","","Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.","Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction","Acta Crystallographica, Section C","2000","56","","1289","1291","10.1107/S0108270100008763","","","0.71073","MoKα","","0.02","0.019","","","","0.051","","","","","","1.227","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1100912","6.124","0.002","11.837","0.005","15.547","0.006","90","","90","","90","","1127","0.7","11","1","11","2","","","","","","","","6","P n n m","-P 2 2n","58","Sodium nitroprusside, deuterated","disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide)","","- C5 D4 Fe N6 Na2 O3 -","- C5 D4 Fe N6 Na2 O3 -","- C20 D16 Fe4 N24 Na8 O12 -","4","0.5","","Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.","Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction","Acta Crystallographica, Section C","2000","56","","1289","1291","10.1107/S0108270100008763","","","0.71073","MoKα","","0.025","0.02","","","","0.054","","","","","","1.081","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1100913","6.124","0.002","11.837","0.005","15.547","0.006","90","","90","","90","","1127","0.7","11","","15","","","","","","","","","7","P n n m","-P 2 2n","58","Sodium nitroprusside, deuterated","disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide)","","- C5 H1.1 D2.9 Fe N6 Na2 O3 -","- C5 H1.102 D2.898 Fe N6 Na2 O3 -","- C20 H4.408 D11.592 Fe4 N24 Na8 O12 -","4","0.5","","Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.","Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction","Acta Crystallographica, Section C","2000","56","","1289","1291","10.1107/S0108270100008763","","neutron","","pulsedneutron","","","0.058","","","0.051","","","","3.75","","","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1507776","5.6614","0.0004","32.515","0.007","3.9525","0.0003","90","","90","","90","","727.58","0.17","298","","298","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Nb4 O17 Sr5 Ti -","- Nb4 O17 Sr5 Ti -","- Nb8 O34 Sr10 Ti2 -","2","0.25","","Drews, A R; Wong-Ng, W; Roth, R S; Vanderah, T A","PREPARATION AND CRYSTAL STRUCTURE OF Sr5TiNb4O17","Materials Research Bulletin","1996","31","","153","163","10.1016/0025-5408(95)00177-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509094","34.07","","37.98","","4.072","","90","","90","","90","","5269.08","","","","","","","","","","","","","7","P n n m","-P 2 2n","58","","Lead antimony bismuth copper silver iron sulfide (51.3/20.4/19.5/1.2/2.9/0.7/114)","","- Ag0.32 Bi19.6 Cu2.96 Fe0.72 Pb51.2 S114 Sb21.2 -","- Ag0.32 Bi19.6 Cu2.96 Fe0.72 Pb51.2 S114 Sb21.2 -","- Ag0.32 Bi19.6 Cu2.96 Fe0.72 Pb51.2 S114 Sb21.2 -","1","0.125","","Makovicky, E.; Mumme, W.G.","The crystal structure of izoklakeite, Pb51.3 Sb20.4 Bi19.5 Ag1.2 Cu2.9 Fe0.7 S114 The kobellite homologous series and its derivatives","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1986","153","","121","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510201","10.256","","5.472","","4","","90","","90","","90","","224.483","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K Na2 (Au O2)","","- Au K Na2 O2 -","- Au K Na2 O2 -","- Au2 K2 Na4 O4 -","2","0.25","","Hoppe, R.; Wagner, G.","Das erste Oxoaurat(I) mit (O-Au-O)-Hanteln: K Na2 (Au O2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","537","","115","122","10.1002/zaac.19865370612","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510249","9.9276","","5.5903","","4.0864","","90","","90","","90","","226.788","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Na2 Rb (Au O2)","","- Au Na2 O2 Rb -","- Au Na2 O2 Rb -","- Au2 Na4 O4 Rb2 -","2","0.25","","Mudring, A.V.; Jansen, M.","Synthese, Kristallstruktur und Eigenschaften von Na2 Rb Au O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","135","138","10.1002/1521-3749(200102)627:2<135::AID-ZAAC135>3.0.CO;2-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510720","9.422","","7.356","","3.231","","90","","90","","90","","223.935","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Mo2 Ir B2","","- B2 Ir Mo2 -","- B2 Ir Mo2 -","- B8 Ir4 Mo8 -","4","0.5","","Nowotny, H.; Rogl, P.; Benesovsky, F.","Ueber einige Komplexboride mit Platinmetallen","Monatshefte fuer Chemie (-108,1977)","1972","103","","965","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510819","9.579","","7.459","","3.072","","90","","90","","90","","219.494","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","W1.75 Ru1.25 B2","","- B2 Ru1.25 W1.75 -","- B2 Ru1.25 W1.75 -","- B8 Ru5 W7 -","4","0.5","","Rogl, P.; Nowotny, H.","Neue Phasen mit Mo2 Ir B2-Typ","Revue de Chimie Minerale","1974","11","","547","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510830","9.24036","","8.09482","","3.48162","","90","","90","","90","","260.422","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Li4 Ca (B O3)2","","- B2 Ca Li4 O6 -","- B2 Ca Li4 O6 -","- B4 Ca2 Li8 O12 -","2","0.25","","Cao, Y.G.; Li, X.Z.; Wang, C.; Xu, Y.P.; Wu, L.; Chen, X.L.","Ab initio structure determination of new compound Li4 Ca B2 O6","Journal of Solid State Chemistry","2004","177","","1847","1851","10.1016/j.jssc.2003.11.023","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511294","4.6918","","5.1271","","3.1096","","90","","90","","90","","74.802","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Pd2 B","","- B Pd2 -","- B Pd2 -","- B2 Pd4 -","2","0.25","","Tergenius, L.E.; Lundstroem, T.","The crystal structure of Pd2 B","Journal of Solid State Chemistry","1980","31","","361","367","10.1016/0022-4596(80)90100-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511563","14.397","","18.318","","9.911","","90","","90","","90","","2613.77","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Si1.04 B5.82","","- B5.82 Si1.04 -","- B5.81639 Si1.0402 -","- B238.472 Si42.648 -","41","5.125","","Garbauskas, M.F.; Slack, G.A.; Viala, J.C.; Kasper, J.S.; Vlasse, M.","The crystal structure of Si B6","Journal of Solid State Chemistry","1986","63","","31","45","10.1016/0022-4596(86)90149-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512396","4.5786","0.0003","5.2981","0.0003","2.9991","0.0002","90","","90","","90","","72.752","0.008","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Iron tetraborate","","- B4 Fe -","- B4 Fe -","- B8 Fe2 -","2","0.25","","Gou, Huiyang; Dubrovinskaia, Natalia; Bykova, Elena; Tsirlin, Alexander A.; Kasinathan, Deepa; Schelle, Walter; Richter, Asta; Merlini, Marco; Hanfland, Michael; Abakumov, Artem M.; Batuk, Dmitry; van Tendeloo, Gustaaf; Nakajima, Yoichi; Kolmogorov, Aleksey N.; Dubrovinsky, Leonid","Discovery of a superhard iron tetraboride superconductor","Physical Review Letters","2013","111","15","","","10.1103/physrevlett.111.157002","","","","","","","","","","","","","","","","","","","","","has coordinates","209338","2020-10-21","18:00:00",""
"1512486","5.499","0.003","10.73","0.07","7.6","0.006","90","","90","","90","","448.43","","","","20","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Mn2 O5 Sr2 -","- Mn2 O5 Sr2 -","- Mn8 O20 Sr8 -","4","0.5","","Takanori Mori; Kazuko Inoue; Naoki Kamegashira; Yasuo Yamaguchi; Kenji Ohoyama","Neutron diffraction study of Sr2Mn2O5","Journal of Alloys and Compounds","2000","296","1--2","92","97","10.1016/S0925-8388(99)00521-6","powder diffraction","neutron","1.8196","","","","","","","","","","","","","","","","","","has coordinates","203889","2020-10-21","18:00:00",""
"1514090","3.992","","4.877","","2.961","","90","","90","","90","","57.648","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Lithium Peroxide - Ii","","- Li O2 -","- Li O2 -","- Li2 O4 -","2","0.25","","Zhuravlev, Yu. N.; Obolonskaya, O. S.","Structure, mechanical stability and chemical bond in alkali metal oxides","Journal of Structural Chemistry (USSR) (= Zhurnal Strukturnoi Khimii)","2010","51","6","1005","1013","10.1007/s10947-010-0157-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1515265","29.858","0.006","14.168","0.003","21.609","0.004","90","","90","","90","","9141","3","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C79 H85 Cl8 N5 S16 -","- C79.5 H80 Cl8 N5 S16 -","- C318 H320 Cl32 N20 S64 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","0.71075","MoKα","","0.2526","0.1431","","","0.3074","0.3361","","","","","","1.673","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516395","13.4361","0.0005","6.625","0.0002","10.1416","0.0004","90","","90","","90","","902.75","0.06","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C6 H6 Eu O9 -","- C6 H6 Eu O9 -","- C24 H24 Eu4 O36 -","4","0.5","","Rodrigues, Marcelo O.; Paz, Filipe A Almeida; Freire, Ricardo O.; de Sá, Gilberto F; Galembeck, André; Montenegro, Maria C. B. S. M.; Araújo, Alberto N; Alves, S.","Modeling, structural, and spectroscopic studies of lanthanide-organic frameworks.","The journal of physical chemistry. B","2009","113","36","12181","12188","10.1021/jp9022629","","","0.71073","MoKα","","0.0205","0.0193","","","0.0506","0.051","","","","","","1.205","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516396","13.3662","0.0006","6.5897","0.0003","10.1045","0.0004","90","","90","","90","","890","0.07","150","2","150","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C6 H6 Gd O9 -","- C6 H6 Gd O9 -","- C24 H24 Gd4 O36 -","4","0.5","","Rodrigues, Marcelo O.; Paz, Filipe A Almeida; Freire, Ricardo O.; de Sá, Gilberto F; Galembeck, André; Montenegro, Maria C. B. S. M.; Araújo, Alberto N; Alves, S.","Modeling, structural, and spectroscopic studies of lanthanide-organic frameworks.","The journal of physical chemistry. B","2009","113","36","12181","12188","10.1021/jp9022629","","","0.71073","MoKα","","0.0119","0.0118","","","0.0289","0.0289","","","","","","1.247","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516397","13.341","0.0003","6.5718","0.0001","10.0912","0.0002","90","","90","","90","","884.74","0.03","150","2","150","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C6 H6 O9 Tb -","- C6 H6 O9 Tb -","- C24 H24 O36 Tb4 -","4","0.5","","Rodrigues, Marcelo O.; Paz, Filipe A Almeida; Freire, Ricardo O.; de Sá, Gilberto F; Galembeck, André; Montenegro, Maria C. B. S. M.; Araújo, Alberto N; Alves, S.","Modeling, structural, and spectroscopic studies of lanthanide-organic frameworks.","The journal of physical chemistry. B","2009","113","36","12181","12188","10.1021/jp9022629","","","0.71073","MoKα","","0.0126","0.0119","","","0.0274","0.0277","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519783","11.3361","0.0002","11.3717","0.0003","8.3386","0.0002","90","","90","","90","","1074.93","0.04","120","2","120","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C14 H20 Co N2 O4 P2 S4 -","- C14 H20 Co N2 O4 P2 S4 -","- C28 H40 Co2 N4 O8 P4 S8 -","2","0.25","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C14H20Co1N2O4P2S4","Crystal Structure Report Archive","2006","","","237","","","","","0.71073","MoKα","","0.0206","0.0197","","","0.0575","0.0584","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519988","11.539","0.0009","12.4271","0.0008","9.9748","0.0005","90","","90","","90","","1430.35","0.16","120","2","120","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C5 H10 Cl4 N3 O2 P3 -","- C5 H10 Cl4 N3 O2 P3 -","- C20 H40 Cl16 N12 O8 P12 -","4","0.5","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C5H10Cl4N3O2P3","Crystal Structure Report Archive","2008","","","483","","","","","0.71073","MoKα","","0.0261","0.0232","","","0.0663","0.069","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520983","5.823","","6.523","","3.194","","90","","90","","90","","121.319","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Fe Sb2 -","- Fe Sb2 -","- Fe2 Sb4 -","2","0.25","","Chumak, I.V.; Pavlyuk, V.V.; Dmytriv, G.S.; Stepien-Damm, Yu.","Phase equilibria and crystal structure of compounds in the Fe - Zn - Sb system at 570 K","Journal of Alloys Compd.","2000","307","","223","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521189","16.243","","16.449","","4.098","","90","","90","","90","","1094.91","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Rb1.5 Gd2 Cu2.5 Se5","","- Cu2.5 Gd2 Rb1.5 Se5 -","- Cu2.497 Gd2 Rb1.5 Se5 -","- Cu9.988 Gd8 Rb6 Se20 -","4","0.5","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the new quaternary rubidium selenides Rb Ln2 Cu Se4 (Ln = Sm, Gd, Dy), Rb1.5 Ln2 Cu2.5 Se5 (Ln = Gd, Dy),and Rb Sm2 Ag3 Se5","Journal of Solid State Chemistry","2000","151","","317","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","140866","2020-10-21","18:00:00",""
"1521191","16.12","","16.292","","4.061","","90","","90","","90","","1066.53","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Rb1.5 Dy2 Cu2.5 Se5","","- Cu2.5 Dy2 Rb1.5 Se5 -","- Cu2.512 Dy2 Rb1.5 Se5 -","- Cu10.048 Dy8 Rb6 Se20 -","4","0.5","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the new quaternary rubidium selenides Rb Ln2 Cu Se4 (Ln = Sm, Gd, Dy), Rb1.5 Ln2 Cu2.5 Se5 (Ln = Gd, Dy),and Rb Sm2 Ag3 Se5","Journal of Solid State Chemistry","2000","151","","317","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","140868","2020-10-21","18:00:00",""
"1521526","5.86295","","11.74014","","8.20686","","90","","90","","90","","564.893","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Pb (Zr0.97 Ti0.03) O3","","- O3 Pb Ti0.03 Zr0.97 -","- O3 Pb Ti0.03 Zr0.97 -","- O24 Pb8 Ti0.24 Zr7.76 -","8","1","","Liu, H.-C.; Toraya, H.","Ab initio structural study on Nb-doped Pb (Zr0.97 Ti0.03) O3 ceramic material by synchrotron X-ray diffraction","Japanese Journal of Applied Physics, Part 1","1999","38","","104","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523082","5.063","","10.076","","11.691","","90","","90","","90","","596.414","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Li2 (W O4)","","- O4 W -","- O4 W -","- O32 W8 -","8","1","","Wilhelmi, K.A.; Waltersson, K.; Loefgren, P.","On the structure of a high pressure polymorph of lithium wolframate(VI). Li2 W O4 (III).","Crystal Structure Communications","1977","6","","219","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524072","6.62","","5.36","","3.91","","90","","90","","90","","138.739","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Pt2 Sb2.6 Sn1.4","","- Pt2 Sb2.6 Sn2.6 -","- Pt2 Sb2.6 Sn2.6 -","- Pt2 Sb2.6 Sn2.6 -","1","0.125","","Bhan, S.; Goedecke, T.; Schubert, K.","Konstitution einiger Mischungen des Platins mit B-Elementen (B = Sn, Sb, Te)","Journal of the Less-Common Metals","1969","19","","121","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","144733","2020-10-21","18:00:00",""
"1524634","17.169","","10.908","","5.202","","90","","90","","90","","974.228","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Ce2 Cu9 In3 -","- Ce2 Cu9 In3 -","- Ce8 Cu36 In12 -","4","0.5","","Kal'ichak, Ya.M.; Baranyak, V.M.; Dmytrakh, O.V.; Bel'skii, V.K.","Crystal structure of Ce Cu4.38 In1.62, compound and affinative compounds","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1988","1988","","39","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524663","8.076","","8.407","","5.898","","90","","90","","90","","400.444","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Cu2 (P O4) (O H)","","- Cu2 H O5 P -","- Cu2 O5 P -","- Cu8 O20 P4 -","4","0.5","","Keller, P.; Hess, H.; Zettler, F.","Ladungsbilanzen an den verfeinerten Kristallstrukturen von Libethenit, Adamin und Co2 ((O H)/As O4) und ihre Wasserstoffbrueckenbindungen","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1979","134","","147","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524664","8.286","","8.594","","6.051","","90","","90","","90","","430.891","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Co2 (O H) As O4","","- As Co2 H O5 -","- As Co2 O5 -","- As4 Co8 O20 -","4","0.5","","Keller, P.; Zettler, F.; Hess, H.","Ladungsbilanzen an den verfeinerten Kristallstrukturen von libethenit, Adamin und Co2 ((O H)/As O4) und ihre Wasserstoffbrueckenbindungen","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1979","134","","147","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525870","14.6746","","11.0027","","3.9045","","90","","90","","90","","630.421","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Nd Cu4 P2","","- Cu4 Nd P2 -","- Cu4 Nd P2 -","- Cu24 Nd6 P12 -","6","0.75","","Demchyna, R.O.; Orishchin, S.V.; Kuz'ma, Yu.B.","The Nd - Cu - P system","Journal of Alloys Compd.","2001","322","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526043","23.067","","14.992","","8.772","","90","","90","","90","","3033.54","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Bi12 Cl14 -","- Bi12 Cl14 -","- Bi48 Cl56 -","4","0.5","","Friedman, R.M.; Corbett, J.D.","On the synthesis and crystal structure of dodecabismuth tetradecachloride, Bi12 Cl14","Inorganica Chimica Acta","1973","7","","525","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526213","8.06","","14.496","","6.695","","90","","90","","90","","782.229","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Nb3 O2 Cl5","","- Cl5 Nb3 O2 -","- Cl5 Nb3 O2 -","- Cl20 Nb12 O8 -","4","0.5","","Gulo, F.; Perrin, C.","The crystal structure of Nb3 O2 Cl5, an original Nb3 cluster oxyhalide","Materials Research Bulletin","2000","35","","253","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","147347","2020-10-21","18:00:00",""
"1526373","16.59","","17.877","","4.3516","","90","","90","","90","","1290.59","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K3 Sm4 Cu5 Te10","","- Cu5 K3 Sm4 Te10 -","- Cu5 K3 Sm4 Te10 -","- Cu10 K6 Sm8 Te20 -","2","0.25","","Huang Fuqiang; Ibers, J.A.","Syntheses and structures of the quaternary copper tellurides K2 Ln4 Cu5 Te10 (Ln = Sm, Gd, Er), Rb3 Ln4 Cu5 Te10 (Ln = Nd, Gd) and Cs3 Gd4 Cu5 Te10","Journal of Solid State Chemistry","2001","160","","409","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","147542","2020-10-21","18:00:00",""
"1526376","14.173","","17.69","","4.0362","","90","","90","","90","","1011.96","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K3 Bi5 Cu2 S10","","- Bi5 Cu2 K3 S10 -","- Bi5 Cu2 K3 S10 -","- Bi10 Cu4 K6 S20 -","2","0.25","","Huang, F.Q.; Mitchell, K.; Ibers, J.A.","Syntheses and structures of the quaternary alkali-metal bismuth coinage-metal chalcogenides K3 Bi5 Cu2 S10, Cs Bi2 Cu S4, Rb Bi2.66 Cu Se5 and Cs Bi Ag2 S3","Journal of Alloys Compd.","2001","325","","84","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","147547","2020-10-21","18:00:00",""
"1526392","16.552","","17.767","","4.3294","","90","","90","","90","","1273.19","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K3 Gd4 Cu5 Te10","","- Cu5 Gd4 K3 Te10 -","- Cu5 Gd4 K3 Te10 -","- Cu10 Gd8 K6 Te20 -","2","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the quaternary copper tellurides K2 Ln4 Cu5 Te10 (Ln = Sm, Gd, Er), Rb3 Ln4 Cu5 Te10 (Ln = Nd, Gd) and Cs3 Gd4 Cu5 Te10","Journal of Solid State Chemistry","2001","160","","409","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","147567","2020-10-21","18:00:00",""
"1526393","16.46","","17.55","","4.2926","","90","","90","","90","","1240.02","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K3 Er4 Cu5 Te10","","- Cu5 Er4 K3 Te10 -","- Cu5 Er4 K3 Te10 -","- Cu10 Er8 K6 Te20 -","2","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the quaternary copper tellurides K2 Ln4 Cu5 Te10 (Ln = Sm, Gd, Er), Rb3 Ln4 Cu5 Te10 (Ln = Nd, Gd) and Cs3 Gd4 Cu5 Te10","Journal of Solid State Chemistry","2001","160","","409","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","147569","2020-10-21","18:00:00",""
"1526394","17.356","","17.82","","4.3811","","90","","90","","90","","1355","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Rb3 Nd4 Cu5 Te10","","- Cu5 Nd4 Rb3 Te10 -","- Cu5 Nd4 Rb3 Te10 -","- Cu10 Nd8 Rb6 Te20 -","2","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the quaternary copper tellurides K2 Ln4 Cu5 Te10 (Ln = Sm, Gd, Er), Rb3 Ln4 Cu5 Te10 (Ln = Nd, Gd) and Cs3 Gd4 Cu5 Te10","Journal of Solid State Chemistry","2001","160","","409","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","147571","2020-10-21","18:00:00",""
"1526396","17.201","","17.586","","4.3429","","90","","90","","90","","1313.71","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Rb3 Gd4 Cu5 Te10","","- Cu5 Gd4 Rb3 Te10 -","- Cu5 Gd4 Rb3 Te10 -","- Cu10 Gd8 Rb6 Te20 -","2","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the quaternary copper tellurides K2 Ln4 Cu5 Te10 (Ln = Sm, Gd, Er), Rb3 Ln4 Cu5 Te10 (Ln = Nd, Gd) and Cs3 Gd4 Cu5 Te10","Journal of Solid State Chemistry","2001","160","","409","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","147573","2020-10-21","18:00:00",""
"1526397","17.512","","17.764","","4.3697","","90","","90","","90","","1359.34","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Cs3 Gd4 Cu5 Te10","","- Cs3 Cu5 Gd4 Te10 -","- Cs3 Cu5 Gd4 Te10 -","- Cs6 Cu10 Gd8 Te20 -","2","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the quaternary copper tellurides K2 Ln4 Cu5 Te10 (Ln = Sm, Gd, Er), Rb3 Ln4 Cu5 Te10 (Ln = Nd, Gd) and Cs3 Gd4 Cu5 Te10","Journal of Solid State Chemistry","2001","160","","409","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","147575","2020-10-21","18:00:00",""
"1526642","9.79696","","13.416","","13.4118","","90","","90","","90","","1762.79","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K11.5 (Al11.5 Si20.5 O64)","","- Al11.5 K11.5 O64 Si20.5 -","- Al11.5008 K11.5 O64 Si20.4992 -","- Al11.5008 K11.5 O64 Si20.4992 -","1","0.125","","Skofteland, B.M.; Ellestad, O.H.; Lillerud, K.P.","Potassium merlinoite: crystallization, structural and thermal properties","Microporous and Mesoporous Materials","2001","43","","61","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","147874","2020-10-21","18:00:00",""
"1526680","6.1486","","7.3155","","7.5371","","90","","90","","90","","339.019","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Mn (N (C N)2)2","","- C4 Mn N6 -","- C4 Mn N6 -","- C8 Mn2 N12 -","2","0.25","","Kmety, C.R.; Huang, Q.-Z.; Lynn, J.W.; McCall, S.; Manson, J.L.; Epstein, A.J.; Crow, J.E.; Erwin, R.W.; Stevenson, K.L.; Miller, J.S.","Noncollinear antiferromagnetic structure of the molecule-based magnet Mn (N (C N)2)2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2000","62","","5576","5588","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526921","13.2334","","16.5065","","5.0337","","90","","90","","90","","1099.55","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Nb28 Ni33.56 Sb12.44 -","- Nb28 Ni33.56 Sb12.44 -","- Nb28 Ni33.56 Sb12.44 -","1","0.125","","Wang, M.; Mar, A.","Nb28 Ni33.5 Sb12.5, a new representative of the X-phase","Journal of Solid State Chemistry","2001","160","","450","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527008","14.571","","17.8189","","4.0686","","90","","90","","90","","1056.37","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Rb3 Bi5 Cu2 S10","","- Bi5 Cu2 Rb3 S10 -","- Bi5 Cu2 Rb3 S10 -","- Bi10 Cu4 Rb6 S20 -","2","0.25","","Yang, Y.-T.; Brazis, P.; Ibers, J.A.; Kannewurf, C.R.","Structures and conductivities of the quaternary A/Bi/Cu/S phases K Bi2 Cu S4 and A3 Bi5 Cu2 S10 (A = Rb, Cs)","Journal of Solid State Chemistry","2000","155","","243","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","148296","2020-10-21","18:00:00",""
"1527009","15.041","","17.994","","4.0973","","90","","90","","90","","1108.93","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Cs3 Bi5 Cu2 S10","","- Bi5 Cs3 Cu2 S10 -","- Bi5 Cs3 Cu2 S10 -","- Bi10 Cs6 Cu4 S20 -","2","0.25","","Yang, Y.-T.; Brazis, P.; Kannewurf, C.R.; Ibers, J.A.","Structures and conductivities of the quaternary A/Bi/Cu/S phases K Bi2 Cu S4 and A3 Bi5 Cu2 S10 (A = Rb, Cs)","Journal of Solid State Chemistry","2000","155","","243","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","148297","2020-10-21","18:00:00",""
"1527578","6.654","","10.06","","15.66","","90","","90","","90","","1048.27","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K Sm2 (N H2)7","","- H14 K N7 Sm2 -","- K N7 Sm2 -","- K4 N28 Sm8 -","4","0.5","","Jacobs, H.; Kistrup, H.","Ueber das System Kalium/Samarium/Ammoniak","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","435","","127","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527620","12.672","","10.825","","8.322","","90","","90","","90","","1141.56","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","(H7 O3)2 Te I6 (H2 O)2","","- H18 I6 O8 Te -","- I6 O8 Te -","- I12 O16 Te2 -","2","0.25","","Katryniok, D.; Mootz, D.; Kniep, R.","Zur Kenntnis der Verbindung H2 Te I6 (H2 O)8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","461","","96","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527688","14.421","","9.987","","6.89","","90","","90","","90","","992.315","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Ti7 Cl16","","- Cl16 Ti7 -","- Cl16 Ti7 -","- Cl32 Ti14 -","2","0.25","","Krebs, B.; Henkel, G.","Die Kristallstruktur von Ti7 Cl16 und Ti7 Br16: Verbindungen mit trigonalen Ti3-Clustern","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","474","","149","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","149380","2020-10-21","18:00:00",""
"1527689","15.228","","10.577","","7.276","","90","","90","","90","","1171.92","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Ti7 Br16","","- Br16 Ti7 -","- Br16 Ti7 -","- Br32 Ti14 -","2","0.25","","Krebs, B.; Henkel, G.","Die Kristallstruktur von Ti7 Cl16 und Ti7 Br16: Verbindungen mit trigonalen Ti3-Clustern","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","474","","149","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","149381","2020-10-21","18:00:00",""
"1528156","6.1","","11.9","","15.5","","90","","90","","90","","1125.15","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","Na2 Fe (C N)5 N H3 (H2 O)2","","- C5 H7 Fe N6 Na2 O2 -","- C5 H7 Fe N6 Na2 O2 -","- C20 H28 Fe4 N24 Na8 O8 -","4","0.5","","Tullberg, A.; Vannerberg, N.G.","The crystal structure of Na2 Fe (C N)5 N H3 (H2 O)2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1972","26","","3382","3383","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1528172","8.11","","8.47","","5.92","","90","","90","","90","","406.655","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Cu2 (P O4) (O H)","","- Cu2 H O5 P -","- Cu2 O5 P -","- Cu8 O20 P4 -","4","0.5","","Walitzi, E.M.","Strukturverfeinerung von Libethenit Cu2 (O H) (P O4)","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1963","8","","614","624","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528256","5.2915","","6.4043","","4.0118","","90","","90","","90","","135.953","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Ru Te2 -","- Ru Te2 -","- Ru2 Te4 -","2","0.25","","Zhao, H.; Schils, H.W.; Raub, C.J.","Untersuchungen im System Ruthenium-Selen-Tellur","Journal of the Less-Common Metals","1985","113","","75","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528273","23.852","","15.622","","9.139","","90","","90","","90","","3405.34","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Bi Br1.167 -","- Bi Br1.16667 -","- Bi48 Br56 -","48","6","","von Benda, H.; Simon, A.; Bauhofer, W.","Zur Kenntnis von Bi Br und Bi Br1.167","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","438","","53","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528383","5.299","","5.983","","2.885","","90","","90","","90","","91.466","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Mo.4 As2","","- As2 Mo0.4 -","- As2 Mo0.4 -","- As4 Mo0.8 -","2","0.25","","Brown, A.","Structure data for some Arsenic- and Germanium-rich Compounds of Molybdenum","Nature (London)","1965","206","","502","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","150536","2020-10-21","18:00:00",""
"1528607","13.5488","","16.3057","","3.8337","","90","","90","","90","","846.951","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Gd3.04 Sc0.96 S6","","- Gd3.04 S6 Sc0.96 -","- Gd3.0375 S6 Sc0.9625 -","- Gd12.15 S24 Sc3.85 -","4","0.5","","Jin Gengbang; Choi Eunsang; Albrecht-Schmitt, T.E.","Syntheses, structures, magnetism, and optical properties of gadolinium scandium chalcogenides","Journal of Solid State Chemistry","2009","182","","1075","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","151077","2020-10-21","18:00:00",""
"1528652","6.572","","8.805","","3.267","","90","","90","","90","","189.05","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Co (H N C N)2","","- C2 H2 Co N4 -","- C2 Co N4 -","- C4 Co2 N8 -","2","0.25","","Krott, M.; Liu Xiaohui; Mueller, P.; Dronskowski, R.","Synthesis and structure determination of Co (H N C N)2 and Ni (H N C N)2","Journal of Solid State Chemistry","2007","180","","307","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528653","6.457","","8.768","","3.23","","90","","90","","90","","182.866","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Ni (H N C N)2","","- C2 H2 N4 Ni -","- C2 H2 N4 Ni -","- C4 H4 N8 Ni2 -","2","0.25","","Krott, M.; Mueller, P.; Liu Xiaohui; Dronskowski, R.","Synthesis and structure determination of Co (H N C N)2 and Ni (H N C N)2","Journal of Solid State Chemistry","2007","180","","307","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530586","23.443","","18.452","","7.149","","90","","90","","90","","3092.45","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K5 (Sb5 P2 O20)","","- K5 O20 P2 Sb5 -","- K5 O20 P2 Sb5 -","- K30 O120 P12 Sb30 -","6","0.75","","Piffard, Y.; Lachgar, A.; Tournoux, M.","A potassium phosphatoantimonate with a three dimensional framework K5 Sb5 P2 O20","Materials Research Bulletin","1986","21","","1231","1238","","","","","","","","","","","","","","","","","","","","","","has coordinates","155718","2020-10-21","18:00:00",""
"1530633","4.4839","","4.5385","","3.136","","90","","90","","90","","63.818","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Pt O2","","- O2 Pt -","- O2 Pt -","- O4 Pt2 -","2","0.25","","Range, K.J.; Klement, U.; Rau, F.; Heyns, A.M.","beta-Pt O2: High pressure synthesis of single crystals and structure refinement","Materials Research Bulletin","1987","22","","1541","1547","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531302","14.745","","9.843","","9.092","","90","","90","","90","","1319.57","","","","","","","","","","","","","1","P n n m","-P 2 2n","58","","","","- C60 -","- C60 -","- C120 -","2","0.25","","Dilanyan, R.A.; Khasanov, S.S.; Gurov, A.F.; Osip'yan, Yu.A.; Bredikhin, S.I.; Kveder, V.V.; Shalynin, A.I.","Phase transitions and the structure of the C60 crystal doped with lithium by electrodiffusion","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","2001","93","","1430","1437","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531816","11.8538","","24.615","","3.9359","","90","","90","","90","","1148.42","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","K3 Er7 S12","","- Er7 K3 S12 -","- Er7 K2.996 S12 -","- Er14 K5.992 S24 -","2","0.25","","Lissner, F.; Schleid, T.; Hartenbach, I.","K3 Er7 S12 und Rb3 Er7 S12: zwei ternaere Erbium(III)-Sulfide mit Kanalstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1552","1555","","","","","","","","","","","","","","","","","","","","","","has coordinates","157390","2020-10-21","18:00:00",""
"1531818","12.0351","","24.83","","3.9485","","90","","90","","90","","1179.94","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Rb3 Er7 S12","","- Er7 Rb3 S12 -","- Er7 Rb3.008 S12 -","- Er14 Rb6.016 S24 -","2","0.25","","Lissner, F.; Hartenbach, I.; Schleid, T.","K3 Er7 S12 und Rb3 Er7 S12: zwei ternaere Erbium(III)-Sulfide mit Kanalstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1552","1555","","","","","","","","","","","","","","","","","","","","","","has coordinates","157393","2020-10-21","18:00:00",""
"1531936","9.8856","","16.745","","6.4639","","90","","90","","90","","1070","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","(N H4) (Mn4 (P O4)3)","","- H4 Mn4 N O12 P3 -","- Mn4 N O12 P3 -","- Mn16 N4 O48 P12 -","4","0.5","","Neeraj, S.; Noy, M.L.; Cheetham, A.K.","Structure and magnetic properties of a three-dimensional framework manganese(II) phosphate, (N H4) (Mn4 (P O4)3)","Solid State Sciences","2002","4","","397","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532077","5.743","","5.725","","19.391","","90","","90","","90","","637.55","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Ce3 O F3 S2","","- Ce3 F3 O S2 -","- Ce3 F3 O S2 -","- Ce12 F12 O4 S8 -","4","0.5","","Pauwels, D.; Demourgues, A.; Guillen, F.; Laronze, H.; Gravereau, P.; Tressaud, A.; Isnard, O.","Structural features of new rare earth-based mixed anions (O, S, F) compounds: relationships between optical absorption and rare earth environment","Solid State Sciences","2002","4","","1471","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532079","5.804","","5.784","","19.482","","90","","90","","90","","654.017","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","La3 O F3 S2","","- F3 La3 O S2 -","- F3 La3 O S2 -","- F12 La12 O4 S8 -","4","0.5","","Pauwels, D.; Demourgues, A.; Isnard, O.; Tressaud, A.; Laronze, H.; Guillen, F.; Gravereau, P.","Structural features of new rare earth-based mixed anions (O, S, F) compounds: relationships between optical absorption and rare earth environment","Solid State Sciences","2002","4","","1471","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533523","21.9145","","4.8843","","8.4039","","90","","90","","90","","899.528","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Sr2 (Al6 O11)","","- Al6 O11 Sr2 -","- Al6 O11 Sr2 -","- Al24 O44 Sr8 -","4","0.5","","Takeda, Takashi; Takahashi, Kasori; Uheda, Kyota; Takizawa, Hirotsugu; Endo, Tadashi","Crystal Structure and Luminescence Properties of Sr~2~Al~6~O~11~:Eu^2+^","Funtai oyobi Funmatsu Yakin","2002","49","12","1128","1133","10.2497/jjspm.49.1128","","","","","","","","","","","","","","","","","","","","","has coordinates","176272","2020-10-21","18:00:00",""
"1534177","14.17","","7.254","","5.656","","90","","90","","90","","581.376","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","K2 Hg (Br O3)2 (N O3)2","","- Br2 Hg K2 N2 O12 -","- Br2 Hg K2 N2 O12 -","- Br4 Hg2 K4 N4 O24 -","2","0.25","","Aurivillius, K.; Stalhandske, C.","X-Ray Studies on the Mercury(II) Bromates K2 Hg (Br O3)2 (N O3)2 and Hg (Br O3)2 (H2 O)2","Acta Chemica Scandinavica, Series A: (28,1974-)","1981","35","","537","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534245","6.63","","6.93","","4.37","","90","","90","","90","","200.784","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Yb Br2","","- Br2 Yb -","- Br2 Yb -","- Br4 Yb2 -","2","0.25","","Beck, H.P.; Baernighausen, H.","Zur Kristallchemie der Ytterbium(II)-Halogenide Yb Cl2 und Yb Br2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","386","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534857","11.2418","","18.5245","","7.3188","","90","","90","","90","","1524.13","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","(Ni (H2 O)6)2 (P2 O6)","","- H24 Ni2 O18 P2 -","- H24 Ni2 O18 P2 -","- H96 Ni8 O72 P8 -","4","0.5","","Haag, J.M.; LeBret, G.C.; Cleary, D.A.; Twamley, B.","Room Temperature Synthesis and Solid-State Structure of Ni2 P2 O6 . 12 H2 O","Journal of Solid State Chemistry","2005","178","","1308","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","161901","2020-10-21","18:00:00",""
"1535004","5.416","","9.7479","","16.6444","","90","","90","","90","","878.735","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Te7 (Be2 Cl6)","","- Be2 Cl6 Te7 -","- Be2 Cl6 Te7 -","- Be4 Cl12 Te14 -","2","0.25","","Beck, J.; Fischer, A.; Stankowski, A.","Polymere, bandfoermige Tellurkationen in den Strukturen des Chloroberyllats Te7 (Be2 Cl6) und des Chlorobismuthats (Te4) (Te10) (Bi4 Cl16)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2542","2548","","","","","","","","","","","","","","","","","","","","","","has coordinates","162111","2020-10-21","18:00:00",""
"1535533","13.5708","","28.116","","4.4147","","90","","90","","90","","1684.46","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cs3 Tb7 Te12 -","- Cs3 Tb7 Te12 -","- Cs6 Tb14 Te24 -","2","0.25","","Tougait, O.; Noel, H.; Ibers, J.A.","Serendipitous syntheses of the series Cs3 Ln7 Te12 (Ln = Sm, Gd, Tb): compounds with large tunnels","Solid State Sciences","2001","3","","513","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535535","13.6064","","28.209","","4.4324","","90","","90","","90","","1701.26","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cs3 Gd7 Te12 -","- Cs3 Gd7 Te12 -","- Cs6 Gd14 Te24 -","2","0.25","","Tougait, O.; Noel, H.; Ibers, J.A.","Serendipitous syntheses of the series Cs3 Ln7 Te12 (Ln = Sm, Gd, Tb): compounds with large tunnels","Solid State Sciences","2001","3","","513","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535537","13.259","","28.332","","4.473","","90","","90","","90","","1680.3","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cs3 Sm7 Te12 -","- Cs3 Sm7 Te12 -","- Cs6 Sm14 Te24 -","2","0.25","","Tougait, O.; Ibers, J.A.; Noel, H.","Serendipitous syntheses of the series Cs3 Ln7 Te12 (Ln = Sm, Gd, Tb): compounds with large tunnels","Solid State Sciences","2001","3","","513","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535807","8.685","","15.646","","7.155","","90","","90","","90","","972.261","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","(Sc (O H) (H2 O)5)2 Cl4 (H2 O)2","","- Cl4 H26 O14 Sc2 -","- Cl4 H26 O14 Sc2 -","- Cl8 H52 O28 Sc4 -","2","0.25","","Ilyukhin, A.B.; Petrosyants, S.P.","Synthesis and crystal structure of (Sc (O H) (H2 O)5)2 X4 * 2(H2 O) (X= Cl, Br)","Zhurnal Neorganicheskoi Khimii","1994","39","","1517","1520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535809","8.926","","16.089","","7.308","","90","","90","","90","","1049.51","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","(Sc (O H) (H2 O)5)2 Br4 (H2 O)2","","- Br4 H26 O14 Sc2 -","- Br4 H26 O14 Sc2 -","- Br8 H52 O28 Sc4 -","2","0.25","","Ilyukhin, A.B.; Petrosyants, S.P.","Synthesis and crystal structure of (Sc (O H) (H2 O)5)2 X4 .2(H2 O) (X=Cl,Br)","Zhurnal Neorganicheskoi Khimii","1994","39","","1517","1520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536311","6.2462","","7.5292","","7.683","","90","","90","","90","","361.323","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Cd (N (C N)2)2","","- C4 Cd N6 -","- C4 Cd N6 -","- C8 Cd2 N12 -","2","0.25","","Juergens, B.; Schnick, W.; Irran, E.; Hoeppe, H.A.","Phase transition of a dicyanamide with rutile-like structure: syntheses and crystal structures of alpha- and beta- (Cd (N (C N)2)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","219","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536380","10.203","","9.885","","9.522","","90","","90","","90","","960.357","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Ba3 (Al2 F12)","","- Al2 Ba3 F12 -","- Al2 Ba3 F12 -","- Al8 Ba12 F48 -","4","0.5","","Kaiser, V.; Babel, D.","Zur Kristallstruktur von Ba3 Al2 F12","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","794","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","164059","2020-10-21","18:00:00",""
"1536502","10.187","","9.869","","9.502","","90","","90","","90","","955.288","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Ba6 F4 (Al4 F20)","","- Al4 Ba6 F24 -","- Al4 Ba6 F24 -","- Al8 Ba12 F48 -","2","0.25","","Domesle, R.; Hoppe, R.","Das erste Cyclo-Fluoroaluminat: Ba3 Al2 F12 = Ba6 F4 (Al4 F20) (Mit einer Bemerkung ueber Ba3 Ti2 F10 O2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","495","","27","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","164231","2020-10-21","18:00:00",""
"1536512","18.339","","12.786","","4.406","","90","","90","","90","","1033.13","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Li13 Pd11.86 Si12.14 -","- Li13 Pd11.86 Si12.14 -","- Li26 Pd23.72 Si24.28 -","2","0.25","","Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.; Pecharskii, V.K.","Crystal structure of Li13 Pd12 Si12","Kristallografiya","1995","40","","183","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536550","8.734","","9.858","","13.564","","90","","90","","90","","1167.86","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","(N H4)3 Ga (N C S)6 (H2 O)3","","- C6 H18 Ga N9 O3 S6 -","- C6 Ga N9 O3 S6 -","- C12 Ga2 N18 O6 S12 -","2","0.25","","Petrosyants, S.P.; Ilyukhin, A.B.","Crystal structure of (NH4)3(Ga(NCS)6)*3H2O","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1993","19","","839","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536570","10.4364","","13.5085","","7.5299","","90","","90","","90","","1061.57","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","(Li I)2 (Li3 (Sb S3))","","- I2 Li5 S3 Sb -","- I2 Li5 S3 Sb -","- I8 Li20 S12 Sb4 -","4","0.5","","Pfitzner, A.; Rau, F.; Preitschaft, C.","(Li I)2 Li3 Sb S3: a mixed alkali metal halide thioantimonate with a novel tetrahedron network","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","75","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536809","8.266","","7.9461","","6.5153","","90","","90","","90","","427.941","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Li3 Na2 (Ga O4)","","- Ga Li3 Na2 O4 -","- Ga Li3 Na2 O4 -","- Ga4 Li12 Na8 O16 -","4","0.5","","Koehler, J.; Hoppe, R.","Das erste Inselgallat mit unterschiedlichen Gegen-Kationen: Li3 Na2 (Ga O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","495","","7","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536969","12.617","","12.617","","12.714","","90","","90","","90","","2023.93","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Sr Cu7 In6","","- Cu7 In6 Sr -","- Cu7 In6 Sr -","- Cu56 In48 Sr8 -","8","1","","Zaremba, V.I.; Muts, I.R.; Hoffmann, R.D.; Poettgen, R.","(Cu7) cluster in Sr Cu7 In6 - synthesis and structure refinement of a twinned crystal","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","2330","2336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537088","9.966","","21","","27.217","","90","","90","","90","","5696.14","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","Cs3 K (Ir3 O (S O4)6 (H S O4)2 H2 O) H2 O","","- Cs3 H6 Ir3 K O35 S8 -","- Cs3 Ir3 K O35 S8 -","- Cs12 Ir12 K4 O140 S32 -","4","0.5","","Zhilyaev, A.N.; Fomina, T.A.; Larina, T.B.; Koz'min, P.A.; Surazhskaya, M.D.; Baranovskii, I.B.","Trinuclear oxosulfatocomplexes of iridium","Zhurnal Neorganicheskoi Khimii","1991","36","","400","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537329","5.103","","6.292","","3.812","","90","","90","","90","","122.396","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Cu Se2 -","- Cu Se2 -","- Cu2 Se4 -","2","0.25","","Gattow, G.","Die Kristallstruktur von Cu Se2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1965","340","","312","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537791","6.67","","5.59","","3.7","","90","","90","","90","","137.956","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Pt Sb Sn -","- Pt Sb Sn -","- Pt2 Sb2 Sn2 -","2","0.25","","Bhan, S.; Goedecke, T.; Schubert, K.","Konstitution einiger Mischungen des Platins mit B-Elementen (B = Sn, Sb, Te)","Journal of the Less-Common Metals","1969","19","","121","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537919","5.01","","4.592","","2.891","","90","","90","","90","","66.51","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Ti.11 V.89 C.50","","- C0.5 Ti0.11 V0.89 -","- C0.5 Ti0.11 V0.89 -","- C2 Ti0.44 V3.56 -","4","0.5","","Emiraliev, A.; Karimov, I.; Faizullaev, F.; Patiev, M.","Formation of superlattice structure of the antiCaCl-2 type in the Ti-V-C system","Kristallografiya","1988","33","","778","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","166309","2020-10-21","18:00:00",""
"1538286","9.555","","9.276","","7.534","","90","","90","","90","","667.755","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K2 Na3 In O4","","- In K2 Na3 O4 -","- In K2 Na3 O4 -","- In4 K8 Na12 O16 -","4","0.5","","Hoppe, R.; Glaum, H.","Ein neues Oxoindat K2 Na3 (In O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","557","","31","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538312","11.63","","13.65","","6.878","","90","","90","","90","","1091.88","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Zr4 (O H)6 (Cr O4)5 (H2 O)2","","- Cr5 H10 O28 Zr4 -","- Cr5 O28 Zr4 -","- Cr10 O56 Zr8 -","2","0.25","","Lundgren, G.","On the crystal structure of a zirconium hydroxide chromate","Arkiv foer Kemi","1958","13","","59","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538912","5.912","","6.653","","3.196","","90","","90","","90","","125.707","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Os Sb2 -","- Os Sb2 -","- Os2 Sb4 -","2","0.25","","Kuz'min, R.N.; Zhuravlev, N.N.; Losievskaya, S.A.","The atomic structures of Ru Sb2 and Os Sb2","Kristallografiya","1960","5","","218","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539122","4.725","","9.104","","14.532","","90","","90","","90","","625.114","","","","","","","","","","","","","1","P n n m","-P 2 2n","58","","","","- S12 -","- S12 -","- S24 -","2","0.25","","Steidel, J.; Steudel, R.; Kutoglu, A.","Roentgenstrukturanalysen von Cyclododecaschwefel (S12) und Cyclododecaschwefel-1-Kohlendisulfid ((S12) * (C S2))","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","476","","171","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539277","6.197","","5.779","","2.914","","90","","90","","90","","104.358","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Ge2 Pt -","- Ge2 Pt -","- Ge4 Pt2 -","2","0.25","","Schubert, K.; Bhan, S.; Balk, M.; Breimer, H.; Stolz, E.; Esslinger, P.","Einige strukturelle Ergebnisse an metallischen Phasen. IV","Naturwissenschaften","1959","46","","647","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539857","17.524","","11.943","","14.031","","90","","90","","90","","2936.54","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K (Th12 N6 Br29)","","- Br29 K N6 Th12 -","- Br29 K1.02 N6 Th12 -","- Br58 K2.04 N12 Th24 -","2","0.25","","Braun, T.P.; Simon, A.; Boettcher, F.; Ueno, F.","A Th12 N6 X29 (A= Li-Rb; X= Cl, Br): ein neuartiger Typ von Thorium-Clustern mit Th12 N6 - Kern","Angewandte Chemie (German Edition)","1995","107","","647","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539929","12.5985","","15.7448","","3.61256","","90","","90","","90","","716.591","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Zr2 Se","","- Se Zr2 -","- Se Zr2 -","- Se12 Zr24 -","12","1.5","","Weirich, T.E.","The crystal structure of Zr2 Se reinvestigated by electron crystallography and X-ray powder diffraction","Kristallografiya","2004","49","","445","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540121","9.196","","9.552","","9.336","","90","","90","","90","","820.076","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Tl4 (Cu2 I6)","","- Cu2 I6 Tl4 -","- Cu2 I6 Tl4 -","- Cu4 I12 Tl8 -","2","0.25","","Hoyer, M.; Hartl, H.","Die Kristallstruktur von TL4 CU2 I6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","587","","23","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","169306","2020-10-21","18:00:00",""
"1540167","4.697","","5.299","","10.052","","90","","90","","90","","250.188","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Na2 (H3 I O6)","","- H3 I Na2 O6 -","- I Na2 O6 -","- I2 Na4 O12 -","2","0.25","","Jansen, M.; Rehr, A.","Na2H3IO6, eine Variante der Markasitstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","567","","95","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540268","14.9684","","9.9672","","3.8813","","90","","90","","90","","579.063","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Zr Sb2","","- Sb2 Zr -","- Sb2 Zr -","- Sb16 Zr8 -","8","1","","Kjekshus, A.","On the crystal structure of ZrSb2 and alpha-HfSb2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1972","26","","1633","1639","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540270","14.989","","9.9781","","3.8506","","90","","90","","90","","575.902","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Hf Sb2 -","- Hf Sb2 -","- Hf8 Sb16 -","8","1","","Kjekshus, A.","On the crystal structure of ZrSb2 and alpha-HfSb2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1972","26","","1633","1639","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540753","10.573","","8.11","","6.286","","90","","90","","90","","539.006","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","(Ag (N H3)2) (N O3)","","- Ag H6 N3 O3 -","- Ag N3 O3 -","- Ag4 N12 O12 -","4","0.5","","Zachwieja, U.; Jacobs, H.","Kolumnarstrukturen bei Tri- und Diamminnitraten, (M (N H3)3) (N O3) und (M (N H3)2) (N O3) des einwertigen Kupfres und Silbers","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","571","","37","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540925","4.443","","10.642","","3.94","","90","","90","","90","","186.293","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- In S -","- In S -","- In4 S4 -","4","0.5","","Schubert, K.; Gunzel, E.; Dorre, E.","Kristallchemische Ergebnisse an Phasen aus B-Elementen","Naturwissenschaften","1954","41","","448","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541357","11.185","","10.759","","3.744","","90","","90","","90","","450.551","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Ni4 Sm P2","","- Ni4 P2 Sm -","- Ni4 P2 Sm -","- Ni24 P12 Sm6 -","6","0.75","","Orishchin, S.V.; Glovyak, T.; Chikhrii, S.I.; Kuz'ma, Yu.B.","New samarium nickel phosphide Sm Ni4 P2 and its crystal structure","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1988","1988","","54","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541359","14.185","","10.759","","3.744","","90","","90","","90","","571.396","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Sm Ni4 P2","","- Ni4 P2 Sm -","- Ni4 P2 Sm -","- Ni24 P12 Sm6 -","6","0.75","","Orishchin, S.V.; Chikhrii, S.I.; Glovyak, T.; Kuz'ma, Yu.B.","New samarium nickel phosphide Sm Ni4 P2 and its crystal structure","Doklady Akademii Nauk Ukrainskoi SSR, Serie B: Geol.Khim.Biol., Nauki","1988","1988","","56","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541786","9.02","","10.532","","11.779","","90","","90","","90","","1118.99","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Li2 (Pr (N O3)5)","","- Li2 N5 O15 Pr -","- Li2 N5 O15 Pr -","- Li8 N20 O60 Pr4 -","4","0.5","","Manek, E.; Meyer, G.","Synthesis and Structure of the first Anhydrous ternary Lithium Nitrates of the Lanthanides, Li2 (M (NO3)5) (M=La, Pr-Eu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","513","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541843","11.543","","13.587","","6.847","","90","","90","","90","","1073.85","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Hf4 ((O H)7.44 (Cr O4)0.28) (Cr O4)4 (H2 O)1.72","","- Cr4.28 H10.88 Hf4 O26.28 -","- Cr4.28 Hf4 O26.28 -","- Cr8.56 Hf8 O52.56 -","2","0.25","","Hansson, M.; Mark, W.","The crystal structure of a basic hafnium chromate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","3467","3476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541857","15.678","","8.6611","","7.1199","","90","","90","","90","","966.802","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","(Sc2 (O H)2 (H2 O)10) Cl4 (H2 O)2","","- Cl4 H26 O14 Sc2 -","- Cl4 H26 O14 Sc2 -","- Cl8 H52 O28 Sc4 -","2","0.25","","Levason, W.; Reid, G.; Webster, M.","Crystal structure of di(mue-hydroxo) bis(pentaaquascandium(III)) tetrachloride dihydrate at 120 K","Private Communication","2002","2002","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541861","11.629","","13.6534","","6.8818","","90","","90","","90","","1092.66","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Zr4 (O H)6.10 (Cr O4)4.95 (H2 O)0.6","","- Cr4.95 H7.3 O26.5 Zr4 -","- Cr4.95 O26.5 Zr4 -","- Cr9.9 O53 Zr8 -","2","0.25","","Mark, W.","The Crystal structure of Zr4 (O H)6 (Cr O4)5 H2 O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","177","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1543664","4.722","","4.271","","2.835","","90","","90","","90","","57.175","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- C Fe2 -","- C Fe2 -","- C2 Fe4 -","2","0.25","","Oila, Adrian; Lung, Chi; Bull, Steve","Elastic properties of eta carbide (η-Fe2C) from ab initio calculations: application to cryogenically treated gear steel","Journal of Materials Science","2013","49","5","2383","","10.1007/s10853-013-7942-0","","","","","","","","","","","","","","","","","","","","","has coordinates","184448","2020-10-21","18:00:00",""
"1544548","4.70456","0.00005","4.21232","0.00004","2.83681","0.00003","90","","90","","90","","56.2174","0.001","","","","","","","","","","","","5","P n n m","-P 2 2n","58","AlOOH delta phase","","delta-(Al,Mg,Si)OOH","- Al0.84 H Mg0.07 O2 Si0.07 -","- Al0.84 H Mg0.07 O2 Si0.07 -","- Al1.68 H2 Mg0.14 O4 Si0.14 -","2","0.25","","Komatsu, K.; Sano-Furukawa, A.; Kagi, H.","Effects of Mg and Si ions on the symmetry of delta-AlOOH","Physics and Chemistry of Minerals","2011","38","","727","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","188427","2020-10-21","18:00:00",""
"1544636","8.3428","0.0011","8.566","0.001","6.0769","0.0008","90","","90","","90","","434.28","0.1","","","","","","","","","","","","4","P n n m","-P 2 2n","58","Zn2AsO4(OH)","","Adamite","- As H O5 Zn2 -","- As H O5 Zn2 -","- As4 H4 O20 Zn8 -","4","0.5","","Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R.","Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite","Journal of Mineralogical and Petrological Sciences","2016","111","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","287740","2023-11-22","19:37:36",""
"1544680","8.386","0.005","8.552","0.004","6.036","0.004","90","","90","","90","","432.9","0.4","","","","","","","","","","","","4","P n n m","-P 2 2n","58","Zn2(OH)AsO4","","adamite","- As H O5 Zn2 -","- As O5 Zn2 -","- As4 O20 Zn8 -","4","0.5","","Kato, T.; Miura, Y.","The crystal structures of adamite and paradamite","Mineralogical Journal","1977","8","","320","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","188709","2020-10-21","18:00:00",""
"1546445","8.8243","0.0002","10.9964","0.0002","12.7995","0.0003","90","","90","","90","","1242.01","0.05","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C11 H10 B I N4 -","- C11 H10 B I N4 -","- C44 H40 B4 I4 N16 -","4","0.5","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0215","0.0185","","","0.0444","0.0456","","","","","","1.107","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1547219","17.165","0.004","21.955","0.004","4.5549","0.0009","90","","90","","90","","1716.5","0.6","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C8 H26 I8 N4 O2 Pb3 -","- C8 H26 I8 N4 O2 Pb3 -","- C16 H52 I16 N8 O4 Pb6 -","2","0.25","","Petrov, Andrey A.; Sokolova, Iuliia P.; Belich, Nikolai A.; Peters, Georgy S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Grätzel, Michael; Goodilin, Eugene A.; Tarasov, Alexey B.","Crystal Structure of DMF-Intermediate Phases Uncovers the Link Between CH3NH3PbI3 Morphology and Precursor Stoichiometry","The Journal of Physical Chemistry C","2017","121","38","20739","","10.1021/acs.jpcc.7b08468","","","0.9699","synchrotron","","0.1193","0.097","","","0.1908","0.2082","","","","","","0.914","","","","has coordinates","201751","2020-10-21","18:00:00",""
"1548499","27.4266","0.0017","21.6592","0.0015","23.647","0.0016","90","","90","","90","","14047.2","1.6","295","2","295","2","","","","","","","","9","P n n m","-P 2 2n","58","","","","- C118 H90 Au4 Br F12 N4 O13 P4 S4 -","- C118 H90 Au4 Br F12 N4 O13 P4 S4 -","- C472 H360 Au16 Br4 F48 N16 O52 P16 S16 -","4","0.5","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.1191","0.066","","","0.2076","0.2444","","","","","","1.047","","","","has coordinates","204400","2020-10-21","18:00:00",""
"1548813","6.5694","0.0002","8.8057","0.0002","3.2621","0.0001","90","","90","","90","","188.707","0.009","293","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Cobalt bis(cyanamide)","","- C2 H2 Co N4 -","- C2 H2 Co N4 -","- C4 H4 Co2 N8 -","2","0.25","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.008","","","","","","","","","","","","","","","has coordinates","205793","2020-10-21","18:00:00",""
"1548814","6.457","0.002","8.768","0.003","3.23","0.001","90","","90","","90","","182.87","0.1","293","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Nickel bis(hydrogencyanamide)","","- C2 H2 N4 Ni -","- C2 H2 N4 Ni -","- C4 H4 N8 Ni2 -","2","0.25","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","205794","2020-10-21","18:00:00",""
"1548815","6.6655","0.0007","8.7923","0.0008","3.3304","0.0003","90","","90","","90","","195.18","0.03","293","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Iron(II) bis(carbodiimide)","","- C2 H2 Fe N4 -","- C2 H2 Fe N4 -","- C4 H4 Fe2 N8 -","2","0.25","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.009","","","","","","","","","","","","","","","has coordinates","205795","2020-10-21","18:00:00",""
"1549161","7.4159","0.0016","19.318","0.004","7.3457","0.0016","90","","90","","90","","1052.3","0.4","120","","120","","","","","","","","","5","P n n m","-P 2 2n","58","","Catena(bis(mu3-dimethylmalonato-O,O',O'',O''')-(mu2-4,4'-bipyridine-N,N') -diaqua-dizinc(II))","","- C20 H24 N2 O10 Zn2 -","- C20 H24 N2 O10 Zn2 -","- C40 H48 N4 O20 Zn4 -","2","0.25","LQ5010","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.1021","0.0657","","","0.1305","0.1448","","","","","","1.043","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1552053","28.134","0.002","15.138","0.0012","19.4067","0.0014","90","","90","","90","","8265.2","1.1","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C72.5 H40 N12.8 O22.91 Pd2 -","- C72.5 H40 N12.788 O22.864 Pd2 -","- C290 H160 N51.152 O91.456 Pd8 -","4","0.5","","Aleksandr V. Zhukhovitskiy; Mingjiang Zhong; Eric G. Keeler; Vladimir K. Michaelis; Jessie E. P. Sun; Michael J. A. Hore; Darrin J. Pochan; Robert G. Griffin; Adam P. Willard; Jeremiah A. Johnson","Highly branched and loop-rich gels via formation of metal-organic cages linked by polymers","Nature Chemistry","2016","8","","33","41","10.1038/nchem.2390","","","0.71073","MoKα","","0.1056","0.0761","","","0.2273","0.2592","","","","","","1.058","","","","has coordinates,has disorder","216871","2020-10-21","18:00:00",""
"1554195","11.302","0.0002","13.5426","0.0002","15.7763","0.0002","90","","90","","90","","2414.7","0.06","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C28 H16 Mg3 N0 O16 P2 -","- C28 H16 Mg3 O16 P2 -","- C56 H32 Mg6 O32 P4 -","2","0.25","","Li, Lan; Yin, Qi; Li, Hong-Fang; Liu, Tian-Fu; Cao, Rong","Rational design of phosphonocarboxylate metal‒organic frameworks for light hydrocarbon separations","Materials Chemistry Frontiers","2018","2","8","1436","","10.1039/C8QM00029H","","","1.54184","CuKα","","0.0827","0.0765","","","0.2051","0.2102","","","","","","1.097","","","","has coordinates","237009","2020-10-21","18:00:00",""
"1557702","11.952","0.001","16.475","0.002","16.923","0.002","90","","90","","90","","3332.3","0.6","","","293","","","","","","","","","6","P n n m","-P 2 2n","58","Di-mu-chlorobis{tetrachlorotellurate(IV)} catena-poly[(mu-chlorobis{pentachlorotellurate(IV)})-mu-iodine(I)] [C6H5(CH3)3N]4n[Te2Cl10]n[Te2Cl11.I]n","","","- C36 H56 Cl21 I N4 Te4 -","- C36 Cl21 I N4 Te4 -","- C72 Cl42 I2 N8 Te8 -","2","0.25","","Hauge, Sverre; Maroy, Kjartan","Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Hexachlorotellurate(IV), [C6H5(CH3)3N]2[TeCl6], catena-poly[(Di-mu-chlorobis{tetrachlorotellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Te2Cl10.Br2]n and Di-mu-chlorobis{tetrachlorotellurate(IV)} catena-poly[(mu-chlorobis{pentachlorotellurate(IV)})-mu-iodine(I)], [C6H5(CH3)3N]4n[Te2Cl10]n[Te2Cl11.I]n","Acta Chemica Scandinavica","1996","50","","1095","1101","10.3891/acta.chem.scand.50-1095","","x-ray","0.71069","MoKα","","","0.032","","","0.032","","","","","","","1.182","","","","has coordinates","249917","2020-10-21","18:00:00",""
"1559471","15.4996","0.0006","23.6435","0.0007","9.0231","0.0002","90","","90","","90","","3306.65","0.18","100","2","100","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Bi6 Br7 -","- Bi6 Br7 -","- Bi48 Br56 -","8","1","","Stroganova, Ekaterina A.; Troyanov, Sergey I.; Morozov, Igor V.; Kuznetsov, Alexey N.","Bismuth Polycations Revisited: Alternative Synthesis and Electronic Structure of Bi6Br7, and Bonding in Main-Group Polyatomic Ions from a Direct Space Perspective","Crystals","2020","10","10","940","","10.3390/cryst10100940","","","0.71073","MoKα","","0.0676","0.0413","","","0.0764","0.0837","","","","","","0.883","","","","has coordinates","259001","2020-11-06","15:10:26",""
"1561010","6.7677","0.0003","12.6321","0.0004","5.3916","0.0002","90","","90","","90","","460.93","0.03","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ba2 Cl2 O6 Se2 Zn -","- Ba2 Cl2 O6 Se2 Zn -","- Ba4 Cl4 O12 Se4 Zn2 -","2","0.25","","Li, Qiang; Geng, Lei; Lu, Hong-Yan; Dai, Kai; Cheng, Wen-Dan","Crystal structures and characterizations of two new selenite chlorides: 1D Ba2Zn(SeO3)2Cl2 and 2D BaZn2(SeO3)2Cl2","Journal of Solid State Chemistry","2018","265","","117","122","10.1016/j.jssc.2018.05.035","","","0.71073","MoKα","","0.0092","0.0088","","","0.0227","0.0228","","","","","","1.013","","","","has coordinates","263032","2021-03-15","07:52:18",""
"1561674","6.8262","0.0007","16.513","0.0017","4.4132","0.0005","90","","90","","90","","497.46","0.09","200","2","200","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- As4 Eu3 In2 -","- As4 Eu3 In2 -","- As8 Eu6 In4 -","2","0.25","","Childs, Amanda B.; Baranets, Sviatoslav; Bobev, Svilen","Five new ternary indium-arsenides discovered. Synthesis and structural characterization of the Zintl phases Sr3In2As4, Ba3In2As4, Eu3In2As4, Sr5In2As6 and Eu5In2As6","Journal of Solid State Chemistry","2019","278","","120889","","10.1016/j.jssc.2019.07.050","","","0.71073","MoKα","","0.024","0.0206","","","0.0418","0.0426","","","","","","1.072","","","","has coordinates","264074","2021-04-13","07:39:22",""
"1561676","6.9362","0.0004","16.6757","0.0009","4.4287","0.0002","90","","90","","90","","512.25","0.05","200","2","200.01","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- As4 In2 Sr3 -","- As4 In2 Sr3 -","- As8 In4 Sr6 -","2","0.25","","Childs, Amanda B.; Baranets, Sviatoslav; Bobev, Svilen","Five new ternary indium-arsenides discovered. Synthesis and structural characterization of the Zintl phases Sr3In2As4, Ba3In2As4, Eu3In2As4, Sr5In2As6 and Eu5In2As6","Journal of Solid State Chemistry","2019","278","","120889","","10.1016/j.jssc.2019.07.050","","","0.71073","MoKα","","0.0167","0.0156","","","0.0362","0.0366","","","","","","1.162","","","","has coordinates","264076","2021-04-13","07:42:05",""
"1561686","26.92","0.02","8.139","0.006","8.981","0.007","90","","90","","90","","1968","3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ba3 Cl K S9 Sb4 -","- Ba3 Cl K S9 Sb4 -","- Ba12 Cl4 K4 S36 Sb16 -","4","0.5","","Zhao, Hua-Jun; Liu, Peng-Fei","Synthesis, crystal and electronic structure, and optical property of the pentanary chalcohalide Ba3KSb4S9Cl","Journal of Solid State Chemistry","2015","232","","37","41","10.1016/j.jssc.2015.08.047","","","0.71073","MoKα","","0.0422","0.0381","","","0.0885","0.0912","","","","","","1.115","","","","has coordinates,has Fobs","264085","2021-04-13","09:32:12",""
"1561739","9.49","0.0019","12.24","0.002","13.78","0.003","90","","90","","90","","1600.7","0.5","100","2","100","2","","","","","","","","4","P n n m","-P 2 2n","58","Ba8PdU2Se16","","","- Ba8 Pd Se16 U2 -","- Ba8 Pd Se16 U2 -","- Ba16 Pd2 Se32 U4 -","2","0.25","","Prakash, Jai; Mesbah, Adel; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Synthesis, crystal structure, resistivity, and electronic structure of the U(V) quaternary polyselenide Ba8PdU2Se12(Se2)2","Journal of Solid State Chemistry","2015","230","","70","74","10.1016/j.jssc.2015.06.033","","","0.71073","MoKα","","0.0311","0.0293","","","0.0669","0.0677","","","","","","1.33","","","","has coordinates","264137","2021-04-14","09:21:15",""
"1561959","12.647","0.003","13.284","0.003","24.926","0.005","90","","90","","90","","4187.6","1.6","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C5 H N O16.83 U3 -","- C5 H N O16.8331 U3 -","- C40 H8 N8 O134.665 U24 -","8","1","","Zhang, Yingjie; Bhadbhade, Mohan; Karatchevtseva, Inna; Price, Jason R.; Liu, Hao; Zhang, Zhaoming; Kong, Linggen; Čejka, Jiří; Lu, Kim; Lumpkin, Gregory R.","Uranium(VI) coordination polymers with pyromellitate ligand: Unique 1D channel structures and diverse fluorescence","Journal of Solid State Chemistry","2015","226","","42","49","10.1016/j.jssc.2015.01.033","","","0.7293","Synchrotron","","0.0627","0.0612","","","0.1416","0.1424","","","","","","1.149","","","","has coordinates","264367","2021-04-21","09:30:07",""
"1562141","13.208","0.003","9.1067","0.0018","12.325","0.003","90","","90","","90","","1482.5","0.6","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","Potassium-sodiumhydroxoborate-nitrate","","","- B6 H3 K3 N Na O15 -","- B6 H3 K3 N Na O15 -","- B24 H12 K12 N4 Na4 O60 -","4","0.5","","Ortner, Teresa S.; Wurst, Klaus; Perfler, Lukas; Tribus, Martina; Huppertz, Hubert","Hydrothermal synthesis and characterization of the first mixed alkali borate-nitrate K3Na[B6O9(OH)3]NO3","Journal of Solid State Chemistry","2015","221","","66","72","10.1016/j.jssc.2014.09.016","","","0.71073","MoKα","","0.0654","0.0457","","","0.1266","0.1371","","","","","","1.042","","","","has coordinates","264577","2021-04-27","07:54:45",""
"1563010","8.2447","0.0003","8.5667","0.0003","6.0313","0.00019","90","","90","","90","","425.99","0.03","300","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- As0.9 Co2 H O5 P0.1 -","- As0.9 Co2 H O5 P0.1 -","- As3.6 Co8 H4 O20 P0.4 -","4","0.5","","de Pedro, I.; Rojo, J.M.; Rodríguez Fernández, J.; Sanchez Marcos, J.; Fernández-Díaz, M.T.; Rojo, T.","Heat capacity and neutron diffraction studies on the frustrated magnetic Co2(OH)(PO4)1−x(AsO4)x [0≤x≤1] solid solution","Journal of Solid State Chemistry","2012","188","","1","10","10.1016/j.jssc.2012.01.048","powder diffraction","","1.5938","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.3128","","","","","","","","has coordinates","265636","2021-05-31","09:58:50",""
"1563011","8.2119","0.001","8.5341","0.0011","6.0123","0.0007","90","","90","","90","","421.35","0.09","300","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- As0.75 Co2 H O5 P0.25 -","- As0.75 Co2 H O5 P0.25 -","- As3 Co8 H4 O20 P -","4","0.5","","de Pedro, I.; Rojo, J.M.; Rodríguez Fernández, J.; Sanchez Marcos, J.; Fernández-Díaz, M.T.; Rojo, T.","Heat capacity and neutron diffraction studies on the frustrated magnetic Co2(OH)(PO4)1−x(AsO4)x [0≤x≤1] solid solution","Journal of Solid State Chemistry","2012","188","","1","10","10.1016/j.jssc.2012.01.048","powder diffraction","","1.5938","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.6217","","","","","","","","has coordinates","265636","2021-05-31","09:58:52",""
"1563012","8.0979","0.0007","8.4325","0.0009","5.9661","0.0006","90","","90","","90","","407.4","0.07","300","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- As0.25 Co2 H O5 P0.75 -","- As0.25 Co2 H O5 P0.75 -","- As Co8 H4 O20 P3 -","4","0.5","","de Pedro, I.; Rojo, J.M.; Rodríguez Fernández, J.; Sanchez Marcos, J.; Fernández-Díaz, M.T.; Rojo, T.","Heat capacity and neutron diffraction studies on the frustrated magnetic Co2(OH)(PO4)1−x(AsO4)x [0≤x≤1] solid solution","Journal of Solid State Chemistry","2012","188","","1","10","10.1016/j.jssc.2012.01.048","powder diffraction","","1.5938","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.82","","","","","","","","has coordinates","265636","2021-05-31","09:58:55",""
"1563013","8.0509","0.0005","8.3946","0.0006","5.9533","0.0004","90","","90","","90","","402.35","0.05","300","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- As0.1 Co2 H O5 P0.9 -","- As0.1 Co2 H O5 P0.9 -","- As0.4 Co8 H4 O20 P3.6 -","4","0.5","","de Pedro, I.; Rojo, J.M.; Rodríguez Fernández, J.; Sanchez Marcos, J.; Fernández-Díaz, M.T.; Rojo, T.","Heat capacity and neutron diffraction studies on the frustrated magnetic Co2(OH)(PO4)1−x(AsO4)x [0≤x≤1] solid solution","Journal of Solid State Chemistry","2012","188","","1","10","10.1016/j.jssc.2012.01.048","powder diffraction","","1.5938","ConstantWavelengthNeutronDiffraction","","","","","","","","","7.7876","","","","","","","","has coordinates","265636","2021-05-31","09:58:55",""
"1563028","13.126","0.002","5.6233","0.001","12.499","0.002","90","","90","","90","","922.6","0.3","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","Thulium Antimony Selenide","","","- Sb2 Se11.68 Tm4 -","- Sb2 Se11.7 Tm4 -","- Sb4 Se23.4 Tm8 -","2","0.25","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","Two new ternary lanthanide antimony chalcogenides: Yb4Sb2S11.25 and Tm4Sb2Se11.68 containing chalcogenide Q2− and dichalcogenide (Q2)2− anions","Journal of Solid State Chemistry","2012","187","","264","268","10.1016/j.jssc.2012.01.020","","","0.71073","MoKα","","0.0384","0.0301","","","0.0767","0.0819","","","","","","1.062","","","","has coordinates","265646","2021-06-01","08:43:45",""
"1563029","12.4455","0.0003","5.3412","0.0001","12.0579","0.0003","90","","90","","90","","801.54","0.03","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","Ytterbium Antimony Sulfide","","","- S2.81 Sb0.5 Yb -","- S2.81 Sb0.5 Yb -","- S22.48 Sb4 Yb8 -","8","1","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","Two new ternary lanthanide antimony chalcogenides: Yb4Sb2S11.25 and Tm4Sb2Se11.68 containing chalcogenide Q2− and dichalcogenide (Q2)2− anions","Journal of Solid State Chemistry","2012","187","","264","268","10.1016/j.jssc.2012.01.020","","","0.71073","MoKα","","0.0259","0.018","","","0.0368","0.0398","","","","","","1.055","","","","has coordinates","265646","2021-06-01","08:43:46",""
"1563124","8.0553","0.0008","8.375","0.0009","5.8818","0.0006","90","","90","","90","","396.8","0.07","180","2","180","2","","","","","","","Synthetic","4","P n n m","-P 2 2n","58","libethenite","","Libethenite","- Cu2 H O5 P -","- Cu2 H O5 P -","- Cu8 H4 O20 P4 -","4","0.5","","Belik, Alexei A.; Naumov, Panče; Kim, Jungeun; Tsuda, Shunsuke","Low-temperature structural phase transition in synthetic libethenite Cu2PO4OH","Journal of Solid State Chemistry","2011","184","11","3128","3133","10.1016/j.jssc.2011.09.026","","","0.71073","MoKα","","0.0276","0.0273","","","0.0729","0.0732","","","","","","1.384","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1563193","8.277","0.002","8.559","0.002","6.0387","0.001","90","","90","","90","","427.8","0.16","293","2","293","2","","","","","","","synthesis as described","4","P n n m","-P 2 2n","58","","","","- As Co2 H O5 -","- As Co2 H O5 -","- As4 Co8 H4 O20 -","4","0.5","","de Pedro, I.; Rojo, J.M.; Pizarro, J.L.; Rodríguez Fernández, J.; Arriortua, M.I.; Rojo, T.","Magnetostructural correlations in the antiferromagnetic Co2−x Cux(OH)AsO4 (x=0 and 0.3) phases","Journal of Solid State Chemistry","2011","184","8","2075","2082","10.1016/j.jssc.2011.05.060","","x-ray","0.71073","MoKα","","0.0408","0.0208","","","0.0399","0.0442","","","","","","0.903","","","","has coordinates","266220","2021-06-07","09:46:44",""
"1563194","8.3156","0.0009","8.5234","0.0018","6.0468","0.0007","90","","90","","90","","428.58","0.11","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- As Co1.7 Cu0.3 H O5 -","- As Co1.77 Cu0.23 H O5 -","- As4 Co7.08 Cu0.92 H4 O20 -","4","0.5","","de Pedro, I.; Rojo, J.M.; Pizarro, J.L.; Rodríguez Fernández, J.; Arriortua, M.I.; Rojo, T.","Magnetostructural correlations in the antiferromagnetic Co2−x Cux(OH)AsO4 (x=0 and 0.3) phases","Journal of Solid State Chemistry","2011","184","8","2075","2082","10.1016/j.jssc.2011.05.060","","","0.71073","MoKα","","0.0445","0.027","","","0.0514","0.0561","","","","","","0.975","","","","has coordinates","266220","2021-06-07","09:46:44",""
"1563253","10.3055","0.0008","15.8867","0.0011","19.714","0.0014","90","","90","","90","","3227.6","0.4","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C24 H41 Mo12 N4 O62 P Zn -","- C24 H20 Mo12 N4 O62 P Zn -","- C48 H40 Mo24 N8 O124 P2 Zn2 -","2","0.25","","Wei, Mei-Lin; Zhuang, Peng-Fei; Miao, Qiu-Xiang; Wang, Yan","Two highly proton-conductive molecular hybrids based on ionized water clusters and poly-Keggin-anion chains","Journal of Solid State Chemistry","2011","184","6","1472","1477","10.1016/j.jssc.2011.04.025","","","0.71073","MoKα","","0.0454","0.0404","","","0.1117","0.1155","","","","","","1.072","","","","has coordinates","266293","2021-06-09","08:08:42",""
"1563254","10.2653","0.0014","16.037","0.002","19.944","0.003","90","","90","","90","","3283.3","0.8","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C24 H42 Mn Mo12 N4 O62.5 P -","- C24 H20 Mn Mo12 N4 O62.5 P -","- C48 H40 Mn2 Mo24 N8 O125 P2 -","2","0.25","","Wei, Mei-Lin; Zhuang, Peng-Fei; Miao, Qiu-Xiang; Wang, Yan","Two highly proton-conductive molecular hybrids based on ionized water clusters and poly-Keggin-anion chains","Journal of Solid State Chemistry","2011","184","6","1472","1477","10.1016/j.jssc.2011.04.025","","","0.71073","MoKα","","0.0613","0.0516","","","0.1373","0.1442","","","","","","0.972","","","","has coordinates","266293","2021-06-09","08:08:43",""
"1563957","13.4687","0.0015","14.8959","0.0017","21.264","0.002","90","","90","","90","","4266.2","0.8","100","","100","","","","","","","","","4","P n n m","-P 2 2n","58","","MOF-711","","- C16 H8 O16 Zr3 -","- C16 H8 O15.941 Zr3 -","- C64 H32 O63.764 Zr12 -","4","0.5","","Lee, Seungkyu; Yaghi, Omar M.","'Eye' of the molecule-a viewpoint.","Faraday discussions","2021","231","0","145","149","10.1039/d1fd00032b","","","0.7749","synchrotron","","0.0522","0.041","","","0.1068","0.1111","","","","","","0.999","","","","has coordinates,has disorder","270455","2021-11-06","20:11:02",""
"1564619","7.1024","0.0004","14.4921","0.0008","22.4437","0.0011","90","","90","","90","","2310.1","0.2","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C39 H57 Cd2 N9 O13 -","- C39 H57 Cd2 N9 O13 -","- C78 H114 Cd4 N18 O26 -","2","0.25","","Lu, Lu; Wang, Jun; Zhou, Shanhe; Zhong, Yuyu; Sun, Yanchun; Wu, Xiren; Singh, Amita; Kumar, Abhinav","Two new coordination polymers driven by polycarboxylate and N-donor spacers: Photocatalytic performance and theoretical analysis","Inorganica Chimica Acta","2020","508","","119647","","10.1016/j.ica.2020.119647","","","0.71073","MoKα","","0.0491","0.0378","","","0.096","0.1033","","","","","","1.129","","","","has coordinates,has disorder","269126","2021-09-14","08:34:29",""
"1564889","4.4474","0.0004","5.4287","0.0004","3.3852","0.0003","90","","90","","90","","81.731","0.012","160","1","160","1","","","","","","","","2","P n n m","-P 2 2n","58","","Marcasite","","- Fe S2 -","- Fe S2 -","- Fe2 S4 -","2","0.25","","Ma, KeYuan; Lefèvre, Robin; Li, Qingtian; Lago, Jorge; Blacque, Olivier; Yang, Wanli; von Rohr, Fabian O.","Synthetic control over polymorph formation in the d-band semiconductor system FeS2","Chemical Science","2021","","","","","10.1039/D1SC03026D","","x-ray","0.71073","MoKα","","0.0266","0.0253","","","0.0631","0.0638","","","","","","1.187","","","","has coordinates","269866","2021-10-08","22:09:43",""
"1565367","19.5879","0.0012","21.9143","0.0013","18.3017","0.0011","90","","90","","90","","7856.1","0.8","150","2","150","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C16 N8 Nb6.4 O144.78 P4 W29.6 -","- C16 N8 Nb6.4 O144.78 P4 W29.6 -","- C32 N16 Nb12.8 O289.56 P8 W59.2 -","2","0.25","","Shmakova, Alexandra A.; Sukhikh, Taisiya S.; Volchek, Victoria V.; Yanshole, Vadim; Stass, Dmitri V.; Filatov, Eugeniy Yu.; Glebov, Eugeniy M.; Abramov, Pavel A.; Sokolov, Maxim N.","Niobium uptake by {P2W12} polyoxoanion with [NbO(C2O4)2(H2O)2]− as Nb source","Inorganica Chimica Acta","2020","502","","119319","","10.1016/j.ica.2019.119319","","","0.71073","MoKα","","0.048","0.034","","","0.08","0.0904","","","","","","1.101","","","","has coordinates","270835","2021-11-23","10:39:50",""
"1566037","18.3434","0.0017","6.7313","0.0008","10.8844","0.0012","90","","90","","90","","1344","0.3","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","Bredigite","","","- Ca7 Mg O16 Si4 -","- Ca7 Mg O16 Si4 -","- Ca28 Mg4 O64 Si16 -","4","0.5","","Bao, Xinjian; He, Mingyue; Zhang, Zhigang; Liu, Xi","Crystal Structure and Some Thermodynamic Properties of Ca7MgSi4O16-Bredigite","Crystals","2020","11","1","14","","10.3390/cryst11010014","","","0.71073","MoKα","","0.0675","0.0472","","","0.1157","0.1289","","","","","","1.004","","","","has coordinates","272127","2022-01-19","09:39:56",""
"1566255","17.0069","0.0005","18.0273","0.0005","18.3374","0.0005","90","","90","","90","","5622","0.3","300","1","300","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C6 H0 Ca3 K1.952 Na0 O29.167 U2 -","- C6 Ca3 K1.954 O29.17 U2 -","- C48 Ca24 K15.632 O233.36 U16 -","8","1","","Jakub Plasil; Jiri Cejka; Jiri Sejkora; Jan Hlousek; Radek Skoda; Milan Novak; Michal Dusek; Ivana Cisarova; Ivan Nemec; Jana Ederova","Linekite, K2Ca3[(UO2)(CO3)3]2 . 8H2O, a new uranyl carbonate mineral from Jachymov, Czech Republic","Journal of GeoSciences","2017","62","","201","213","10.3190/jgeosci.241","","x-ray","0.7107","MoKα","","0.0545","0.034","","","0.0783","0.084","","","","1.82","1.82","1.64","","","","has coordinates","272418","2022-02-02","09:46:32",""
"1569046","5.601","0.002","5.415","0.003","2.5553","0.0008","90","","90","","90","","77.5","0.06","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C2 Cu O4 -","1","0.125","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","x-ray","0.71073","MoKα","","0.0905","0.0726","","","0.1854","0.2027","","","","","","1.135","","","","has coordinates,has disorder","283531","2023-05-05","19:59:45",""
"1569047","5.607","0.002","5.428","0.002","2.5579","0.0007","90","","90","","90","","77.85","0.05","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C2 Cu O4 -","1","0.125","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","x-ray","0.71073","MoKα","","0.0994","0.081","","","0.2135","0.258","","","","","","1.207","","","","has coordinates","283532","2023-05-05","19:59:58",""
"2000152","8.379","0.001","8.379","0.001","15.832","0.004","90","","90","","90","","1111.5","0.3","","","","","","","","","","","","6","P n n m","-P 2 2n","","","","","- C20 H16 Cu F6 N2 O4 -","- C40 Cu2 F24 N4 O8 -","- C40 Cu2 F24 N4 O8 -","1","0.125","LI0072","Yu, K.-B.; Gou, S.-H.; You, X.-Z.; Xu, Z.","Structure of <i>catena</i>-poly{bis(1,1,1-trifluoro-2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')copper-μ-[(4,4'-bipyridine)-κ<i>N</i>:κ<i>N</i>']}","Acta Crystallographica Section C","1991","47","12","2653","2654","10.1107/S0108270191007928","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002304","22.129","","4.876","","8.417","","90","","90","","90","","908.2","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Strontium lead aluminium oxide (1.33/.67/6/11)","","- Al6 O11 Pb0.67 Sr1.33 -","- Al6 O11 Pb0.67 Sr1.33 -","- Al24 O44 Pb2.68 Sr5.32 -","4","0.5","","Ploetz, K B; Mueller-Buschbaum, Hk","Darstellung und Strukturaufklaerung von Sr1.33 Pb0.67 Al6 O11","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","491","","253","258","10.1002/zaac.19824910132","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002950","32.456","0.005","5.674","0.002","3.995","0.002","90","","90","","90","","735.7","0.5","295","2","295","2","","","","","","","","3","P n n m","-P 2 2n","58","","strontium niobium oxide","","- Nb5 O17 Sr5 -","- Nb5 O17 Sr5 -","- Nb10 O34 Sr10 -","2","0.25","","Abrahams, Sidney C.; Schmalle, Helmut W.; Williams, Tim; Reller, Armin; Lichtenberg, Frank; Widmer, Daniel; Bednorz, J. Georg; Spreiter, Rolf; Bosshard, Christian; Günter, Peter","Centrosymmetric or Noncentrosymmetric? Case Study and Structural Redetermination of Sr~5~Nb~5~O~17~","Acta Crystallographica, Section B","1998","54","","399","416","","","","0.71073","MoKα","","0.0987","0.0221","","0.0779","0.0551","","","","0.716","0.809","0.809","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2002951","32.456","0.005","5.674","0.002","3.995","0.002","90","","90","","90","","735.7","0.5","295","2","295","2","","","","","","","","3","P n n m","-P 2 2n","58","","strontium niobium oxide","","- Nb5 O17 Sr5 -","- Nb5 O17 Sr5 -","- Nb10 O34 Sr10 -","2","0.25","","Abrahams, Sidney C.; Schmalle, Helmut W.; Williams, Tim; Reller, Armin; Lichtenberg, Frank; Widmer, Daniel; Bednorz, J. Georg; Spreiter, Rolf; Bosshard, Christian; Günter, Peter","Centrosymmetric or Noncentrosymmetric? Case Study and Structural Redetermination of Sr~5~Nb~5~O~17~","Acta Crystallographica, Section B","1998","54","","399","416","","","","0.71073","MoKα","","0.0611","0.0221","","0.0655","0.0575","","","","0.764","0.925","0.925","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2005339","23.608","0.008","6.825","0.009","5.4908","0.0013","90","","90","","90","","884.7","1.2","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","Caesium Chloride - di caesium - bis(tellurium di vanadium heptaoxide)","","- Cl Cs3 O14 Te2 V4 -","- Cl Cs3 O14 Te2 V4 -","- Cl2 Cs6 O28 Te4 V8 -","2","0.25","BR1139","Marrot, J.; Savariault, J.-M.","Tricaesium Ditellurium Tetravanadium Chloride Tetradecaoxide","Acta Crystallographica Section C","1996","52","9","2129","2132","10.1107/S0108270196003198","","","0.71069","MoKα","","0.0422","0.0407","","0.1011","0.1001","","","","1.196","1.199","1.199","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007184","7.596","0.001","15.53","0.002","6.966","0.001","90","","90","","90","","821.75","0.19","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","Bis (2-chloroimidazolium) hexachloroplatinate(IV)","","- C6 H8 Cl8 N4 Pt -","- C6 H8 Cl8 N4 Pt -","- C12 H16 Cl16 N8 Pt2 -","2","0.25","MU1347","Giovanni Valle; Renato Ettorre","Bis(2-chloro-1<i>H</i>-imidazol-3-ium) Hexachloroplatinate(IV), (C~3~H~4~ClN~2~)~2~[PtCl~6~]","Acta Crystallographica Section C","1998","54","4","448","449","10.1107/S0108270197015965","","","0.7107","MoKα","","0.048","0.041","","0.106","0.101","","","","1.283","1.329","1.329","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007881","7.41","0.004","14.392","0.001","7.368","0.004","90","","90","","90","","785.8","0.6","291.2","","291","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C4 H16 Cl6 N2 Te -","- C4 H16 Cl6 N2 Te -","- C8 H32 Cl12 N4 Te2 -","2","0.25","BK1402","Ishida, Hiroyuki; Kashino, Setsuo","Bis(dimethylammonium) Hexachlorotellurate(IV)","Acta Crystallographica Section C","1998","54","12","1811","1813","10.1107/S0108270198009226","","","0.71073","MoKα","","0.075","0.033","","0.034","","0.032","","","2.195","","","2.65","","","","has coordinates","199444","2020-10-21","18:00:00",""
"2009287","16.8265","0.0013","15.7626","0.0013","7.2886","0.0005","90","","90","","90","","1933.2","0.3","200","2","200","2","","","","","","","","5","P n n m","-P 2 2n","58","Cu NH3 Ni(CN)4, 23611","decaammine-5k^3^N,6k^2^N,7k^2^N,8k^3^N-octa-m-cyano-1:5k^2^C:N;1:6k^2^C:N; 2:6k^2^C:N;2:7k^2^C:N;3:6k^2^C:N;3:7k^2^C:N;4:7k^2^C:N;4:8k^2^C:N-octacyano- 1k^2^C,2k^2^C,3k^2^C,4k^2^C-tetracopper(II)tetranickel(II)","","- C16 H36 Cu4 N28 Ni4 -","- C16 H36 Cu4 N28 Ni4 -","- C32 H72 Cu8 N56 Ni8 -","2","0.25","JZ1356","Janiak, Christoph; Wu, He-Ping; Klüfers, Peter; Mayer, Peter","A molecular tetraamminecopper(II)-<i>trans</i>-diamminecopper(II) tetracyanonickelate(II) coordination compound","Acta Crystallographica Section C","1999","55","12","1966","1969","10.1107/S0108270199010859","","","0.71073","MoKα","","0.061","0.033","","","","0.073","","","","","","0.854","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009684","8.21","0.002","12.334","0.003","16.354","0.005","90","","90","","90","","1656","0.8","298","","","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C34 H40 Cl2 N2 P2 Pd -","- C34 H40 Cl2 N2 P2 Pd -","- C68 H80 Cl4 N4 P4 Pd2 -","2","0.25","CD1043","Burrow, R.A.; Farrar, D.H.; Honeyman, C.H.","[Pd{P(C~5~H~10~N)Ph~2~}~2~Cl~2~]","Acta Crystallographica Section C","1994","50","5","681","683","10.1107/S0108270193007693","","","0.71073","MoKα","","","0.0455","","","0.047","","","","","3.26","3.26","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010084","11.342","0.003","13.165","0.003","9.993","0.002","90","","90","","90","","1492.1","0.6","291","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Cl7 H12 N3 O Sb2 -","- Cl7 H12 N3 O Sb2 -","- Cl28 H48 N12 O4 Sb8 -","4","0.5","BR1061","Rogers, Robin D.; Jezl, Mary L.","Ammonium heptachlorooxodiantimonate(III), (NH~4~)~3~[Sb~2~Cl~7~O]","Acta Crystallographica Section C","1994","50","10","1527","1529","10.1107/S0108270194001927","","","0.71073","MoKα","","","0.041","","","0.05","","","","","1.18","1.18","","","","","has coordinates","189064","2020-10-21","18:00:00",""
"2013237","6.732","0.001","11.5","0.002","14.64","0.003","90","","90","","90","","1133.4","0.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C12 H20 Cl4 Cu2 N16 -","- C12 H20 Cl4 Cu2 N16 -","- C24 H40 Cl8 Cu4 N32 -","2","0.25","AV1134","Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Pytleva, Dariya S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.","<i>catena</i>-Poly[[bis[μ-1,2-bis(1-methyltetrazol-5-yl)ethane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis[chlorocopper(II)]]-di-μ-chloro]","Acta Crystallographica Section C","2003","59","6","m221","m223","10.1107/S0108270103008977","","","0.71073","MoKα","","0.0327","0.0312","","","0.1016","0.103","","","","","","1.261","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013377","9.8698","0.0002","11.7941","0.0003","7.6686","0.0001","90","","90","","90","","892.67","0.03","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- La2 Nb3 O8 S2 -","- La2 Nb3 O8 S2 -","- La8 Nb12 O32 S8 -","4","0.5","SQ1017","Cario, Laurent; Kabbour, Houria; Guillot-Deudon, Catherine; Meerschaut, Alain","A mixed-valent niobium oxysulfide, La~2~Nb~3~S~2~O~8~","Acta Crystallographica Section C","2003","59","6","i55","i56","10.1107/S0108270103009570","","","0.71073","MoKα","","0.0323","0.0247","","","0.05","0.0522","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013712","15.5","0.002","7.098","0.001","7.224","0.001","90","","90","","90","","794.78","0.19","150","2","150","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C6 H24 Cu N4 O8 S2 -","- C6 H24 Cu N4 O8 S2 -","- C12 H48 Cu2 N8 O16 S4 -","2","0.25","TA1422","Kim, Yang; Skelton, Brian W.; White, Allan H.","<i>catena</i>-Poly[[<i>trans</i>-bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-dithionato-κ^2^<i>O</i>:<i>O</i>'] and <i>trans</i>-diaquabis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II) dithionate","Acta Crystallographica Section C","2003","59","12","m546","m548","10.1107/S0108270103025447","","","0.71073","MoKα","","0.039","0.035","","0.042","","0.041","","","1.178","","","1.206","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014945","17.6164","0.0002","10.3189","0.0001","9.2348","0.0003","90","","90","","90","","1678.72","0.06","273","1","","","","","","","","","","4","P n n m","-P 2 2n","58","","poly[octa-μ-aqua-ocataqua-μ-decavanadato-hexalithium]","","- H32 Li6 O44 V10 -","- H32 Li6 O44 V10 -","- H64 Li12 O88 V20 -","2","0.25","TA1489","Ai-Li Xie; Chun-An Ma","Hexalithium hexadecahydrate decavanadate, [Li~6~(H~2~O)~16~V~10~O~28~]~<i>n~</i>","Acta Crystallographica Section C","2005","61","6","i67","i68","10.1107/S0108270105013181","","","0.7107","MoKα","","","0.021","","","","0.072","","","","","","1.026","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015670","12.952","0.003","14.489","0.003","4.5851","0.001","90","","90","","90","","860.4","0.3","173","2","","","","","","","","","","6","P n n m","-P 2 2n","58","","catena-poly[p-phenylenediammonium [[diiodolead(II)]-di-μ-iodo] dihydrate]","","- C6 H14 I4 N2 O2 Pb -","- C6 H14 I4 N2 O2 Pb -","- C12 H28 I8 N4 O4 Pb2 -","2","0.25","AV3041","Lemmerer, Andreas; Billing, David G.","Two packing motifs based upon chains of edge-sharing PbI~6~ octahedra","Acta Crystallographica Section C","2006","62","12","m597","m601","10.1107/S0108270106039746","","","0.71073","MoKα","","","0.0319","","","","0.0814","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020263","9.66","","14.959","","8.215","","90","","90","","90","","1187.1","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","(N H4)4 (Pt2 Cl (P2 O5 H2)4)","","- Cl H24 N4 O20 P8 Pt2 -","- Cl H14 N4 O20 P8 Pt2 -","- Cl2 H28 N8 O40 P16 Pt4 -","2","0.25","","Jin, S.; Ito, T.; Toriumi, K.; Yamashita, M.","Structure of a linear-chain chloro-bridged binuclear platinum complex, (N H4)4 (Pt2 Cl (P2 O5 H2)4)","Acta Crystallographica C (39,1983-)","1989","45","","1415","1417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2022274","19.3159","0.0008","15.0183","0.0005","19.6537","0.001","90","","90","","90","","5701.4","0.4","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","Mo6O19.H2TCPP.5H2O","5,10,15,20-Tetrakis(4-carboxyphenyl)-21<i>H</i>,22<i>H</i>,23<i>H</i>, \24<i>H</i>-porphine(2+) hexamolybdate(VI) pentahydrate","","- C48 H42 Mo6 N4 O32 -","- C48 H41 Mo6 N4 O32 -","- C192 H164 Mo24 N16 O128 -","4","0.5","ZO3009","Chen, Wen-Tong","Crystal structure and photophysical properties of a novel polyoxomolybdate porphyrin","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014461","","","0.71073","MoKα","","0.2046","0.0922","","","0.1374","0.1748","","","","","","1.007","","","","has coordinates,has Fobs","259057","2020-11-10","05:02:31",""
"2022340","12.6208","0.0012","15.6878","0.0015","4.8338","0.0005","90","","90","","90","","957.06","0.16","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","Manganese cobalt germanide","","- Co32.32 Ge13.68 Mn28 -","- Co32.32 Ge13.68 Mn28 -","- Co32.32 Ge13.68 Mn28 -","1","0.125","EF3015","Shtender, Vitalii; Larsen, Simon R.; Sahlberg, Martin","Variants of the <i>X</i>-phase in the Mn‒Co‒Ge system","Acta Crystallographica Section C","2021","77","4","176","180","10.1107/S2053229621002370","","","0.71073","MoKα","","0.0359","0.0323","","","0.0779","0.0795","","","","","","1.219","","","","has coordinates,has Fobs","264983","2021-05-06","07:09:01",""
"2022341","12.6427","0.001","15.6725","0.0012","4.8374","0.0004","90","","90","","90","","958.5","0.13","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","Manganese cobalt germanide","","- Co30.97 Ge13.25 Mn29.79 -","- Co30.96 Ge13.248 Mn29.792 -","- Co30.96 Ge13.248 Mn29.792 -","1","0.125","EF3015","Shtender, Vitalii; Larsen, Simon R.; Sahlberg, Martin","Variants of the <i>X</i>-phase in the Mn‒Co‒Ge system","Acta Crystallographica Section C","2021","77","4","176","180","10.1107/S2053229621002370","","","0.71073","MoKα","","0.0265","0.0219","","","0.0502","0.0515","","","","","","1.103","","","","has coordinates,has Fobs","264983","2021-05-06","07:09:01",""
"2100343","6.308","0.002","6.321","0.002","15.759","0.003","90","","90","","90","","628.4","0.3","90","0.2","90","0.2","","","","","","","","3","P n n m","-P 2 2n","58","pinacol hexahydrate","2,3-dimethyl-2,3-butanediol hexahydrate","","- C6 H26 O8 -","- C6 H26 O8 -","- C12 H52 O16 -","2","0.25","WS5034","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","The unusual phases of anhydrous and hydrated pinacol","Acta Crystallographica Section B","2005","61","6","689","699","10.1107/S0108768105031356","","","0.71073","MoKα","","0.0524","0.0363","","","0.0859","0.0941","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2101671","7.7992","0.0006","7.905","0.0006","5.5591","0.0005","90","","90","","90","","342.73","0.05","295","2","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","CR0515","Pilati, T.; Demartin, F.; Gramaccioli, C. M.","Transferability of Empirical Force Fields in Silicates: Lattice-Dynamical Evaluation of Atomic Displacement Parameters and Thermodynamic Properties for the Al~2~OSiO~4~ Polymorphs","Acta Crystallographica Section B","1997","53","1","82","94","10.1107/S0108768196011482","","","0.71073","MoKα","","","0.014","","","0.018","","","","","0.938","0.938","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101931","4.4865","0.0005","4.4347","0.0005","3.0934","0.0003","90","","90","","90","","61.547","0.011","298","","298","","","","","","","","","2","P n n m","-P 2 2n","58","","ruthenium dioxide","","- O2 Ru -","- O2 Ru -","- O4 Ru2 -","2","0.25","BR0060","Haines, J.; Léger, J. M.; Schulte, O.; Hull, S.","Neutron Diffraction Study of the Ambient-Pressure, Rutile-Type and the High-Pressure, CaCl~2~-Type Phases of Ruthenium Dioxide","Acta Crystallographica Section B","1997","53","6","880","884","10.1107/S0108768197008094","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102117","8.1935","0.0002","7.709","0.0002","5.408","0.0001","90","","90","","90","","341.59","0.02","598","","","","","","","","","","","4","P n n m","-P 2 2n","58","Zirconium Hydrogen Phosphate","Zirconium Bis(hydrogenortophosphate)","","- H2 O8 P2 Zr -","- O8 P2 Zr -","- O16 P4 Zr2 -","2","0.25","OS0045","Krogh Andersen, Anne Marie; Norby, Poul","<i>Ab initio</i> structure determination and Rietveld refinement of a high-temperature phase of zirconium hydrogen phosphate and a new polymorph of zirconium pyrophosphate from <i>in situ</i> temperature-resolved powder diffraction data","Acta Crystallographica Section B","2000","56","4","618","625","10.1107/S0108768100003645","","","0.9336","synchrotron","","","","","","","","","","2.34","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102118","8.3127","0.0004","6.6389","0.0004","5.3407","0.0003","90","","90","","90","","294.74","0.03","778","","","","","","","","","","","3","P n n m","-P 2 2n","58","Zirconium Pyrophosphate","Zirconium Pyrophosphate","","- O7 P2 Zr -","- O7 P2 Zr -","- O14 P4 Zr2 -","2","0.25","OS0045","Krogh Andersen, Anne Marie; Norby, Poul","<i>Ab initio</i> structure determination and Rietveld refinement of a high-temperature phase of zirconium hydrogen phosphate and a new polymorph of zirconium pyrophosphate from <i>in situ</i> temperature-resolved powder diffraction data","Acta Crystallographica Section B","2000","56","4","618","625","10.1107/S0108768100003645","","","0.9336","synchrotron","","","","","","","","","","2.02","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2104022","4.2499","0.0007","4.2024","0.0007","2.8039","0.0004","90","","90","","90","","50.077","0.014","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","germanium dioxide","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.25","WS0004","Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki","Structural refinements of high-pressure phases in germanium dioxide","Acta Crystallographica Section B","2003","59","6","701","708","10.1107/S0108768103021761","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2106339","15.63","","12.756","","4.441","","90","","90","","90","","885.43","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- In4 Te3 -","- In4 Te3 -","- In16 Te12 -","4","0.5","","Hogg, J.H.C.; Sutherland, H.H.","The crystal structure of tetraindium tritelluride","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2483","2488","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106378","12.594","","7.551","","4.002","","90","","90","","90","","380.579","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Cd Br2 (H2 O)4","","- Br2 Cd H8 O4 -","- Br2 Cd O4 -","- Br4 Cd2 O8 -","2","0.25","","Leligny, H.; Monier, J.C.","Structure cristalline de Cd Br2 (H2 O)4","Acta Crystallographica B (24,1968-38,1982)","1978","34","","5","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106396","16.513","","13.632","","3.901","","90","","90","","90","","878.135","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","In Sm3 S6","","- In S6 Sm3 -","- In S6 Sm3 -","- In4 S24 Sm12 -","4","0.5","","Messain, D.; Carre, D.; Laruelle, P.","Structure cristalline du sulfure de samarium et d'indium Sm3 In S6","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2540","2542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106438","12.183","","13.046","","4.39","","90","","90","","90","","697.744","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","K I Br2 (H2 O)","","- Br2 H2 I K O -","- Br2 H2 I K O -","- Br8 H8 I4 K4 O4 -","4","0.5","","Soled, S.; Carpenter, G.B.","The Crystal Structure of K I Br2 (H2 O)","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2556","2559","","","","","","","","","","","","","","","","","","","","","","has coordinates","189208","2020-10-21","18:00:00",""
"2106563","12.248","","9.389","","3.975","","90","","90","","90","","457.111","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Co2 Y3 -","- Co2 Y3 -","- Co8 Y12 -","4","0.5","","Moreau, J.M.; Paccard, D.; Parthe, E.","The orthorombic structure of Y3 Co2, a shift structure variation of the monoclinic Dy3Ni2-type","Acta Crystallographica B (24,1968-38,1982)","1975","31","","747","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106679","13.266","","10.574","","7.94","","90","","90","","90","","1113.78","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","((N H3)5 Co O2 Co (N H3)5) (S C N)4","","- C4 H30 Co2 N14 O2 S4 -","- C4 H30 Co2 N14 O2 S4 -","- C8 H60 Co4 N28 O4 S8 -","2","0.25","","Fronczek, F.R.; Schaefer, W.P.; Marsh, R.E.","A reinvestigation of the crystal structure of decaammine mue-peroxodicobalt tetrathiocyanate","Acta Crystallographica B (24,1968-38,1982)","1974","30","","117","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","154880","2020-10-21","18:00:00",""
"2107069","15.7968","","12.64","","3.6016","","90","","90","","90","","719.137","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Zr2 Se","","- Se Zr2 -","- Se Zr2 -","- Se12 Zr24 -","12","1.5","","Franzen, H.F.; Norrby, L.J.","The crystal structure of Zr2 Se","Acta Crystallographica B (24,1968-38,1982)","1968","24","","601","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2201017","6.7635","0.0004","12.6454","0.0007","5.3866","0.0003","90","","90","","90","","460.7","0.05","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ba2 Cl2 Co O6 Se2 -","- Ba2 Cl2 Co O6 Se2 -","- Ba4 Cl4 Co2 O12 Se4 -","2","0.25","","Johnston, Magnus G.; Harrison, William T. A.","Barium cobalt chloride selenite, Ba~2~CoCl~2~(SeO~3~)~2~","Acta Crystallographica, Section E","2002","58","","i49","i51","10.1107/S1600536802009005","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2202751","12.296","0.0008","9.7463","0.0007","9.9583","0.0007","90","","90","","90","","1193.41","0.14","293","","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","2,2-Dimethoxy-1,3,2-dithiagermole-4,5-dicarbonitrile","","- C6 H4 Ge N2 O2 S2 -","- C6 H4 Ge N2 O2 S2 -","- C24 H16 Ge4 N8 O8 S8 -","4","0.5","NA6255","Sema Öztürk; Mehmet Akkurt; Tevfik Rıza Kök; Hoong-Kun Fun","2,2-Dimethoxy-1,3,2-dithiagermole-4,5-dicarbonitrile","Acta Crystallographica Section E","2003","59","11","m1018","m1019","10.1107/S1600536803022682","","","0.71073","MoKα","","0.0457","0.0373","","","0.0955","0.1012","","","","","","1.034","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205074","6.997","0.001","14.221","0.003","18.355","0.004","90","","90","","90","","1826.4","0.6","295","2","295","2","","","","","","","","6","P n n m","-P 2 2n","58","","[N,N'-Ethylenebis(salicylideneiminato)]nickel(II) chloroform solvate","","- C17 H15 Cl3 N2 Ni O2 -","- C17 H15 Cl3 N2 Ni O2 -","- C68 H60 Cl12 N8 Ni4 O8 -","4","0.5","HB6145","Cheng, Xiao-Li; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","[<i>N</i>,<i>N</i>'-Ethylenebis(salicylideneiminato)]nickel(II) chloroform solvate","Acta Crystallographica Section E","2005","61","2","m385","m386","10.1107/S1600536805002187","","","0.71073","MoKα","","0.054","0.046","","","0.141","0.147","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205222","6.3192","0.0008","22.253","0.003","5.4903","0.0007","90","","90","","90","","772.05","0.17","295","2","295","2","","","","","","","","5","P n n m","-P 2 2n","58","","Trimethylenetetraaminium(4+) bis(sulfate) monohydrate","","- C6 H24 N4 O9 S2 -","- C6 H24 N4 O9 S2 -","- C12 H48 N8 O18 S4 -","2","0.25","BT6608","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","Triethylenetetraminium(4+) bis(sulfate) monohydrate","Acta Crystallographica Section E","2005","61","3","o774","o775","10.1107/S1600536805005477","","","0.71073","MoKα","","0.081","0.07","","","0.174","0.185","","","","","","1.14","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207104","11.278","0.002","11.532","0.002","10.802","0.002","90","","90","","90","","1404.9","0.4","295","2","295","2","","","","","","","","5","P n n m","-P 2 2n","58","","catena-poly[[di-μ-acetato-1κO:2κO'-bis[(acetato-κ^2^O,O')nickel(II)]]- di-μ-4,4'-bipyridine-1κN:1'κN';2κN:2'κN']","","- C14 H14 N2 Ni O4 -","- C14 H14 N2 Ni O4 -","- C56 H56 N8 Ni4 O16 -","4","0.5","XU6044","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","The ribbon structure of nickel(II) acetate‒4,4'-bipyridine","Acta Crystallographica Section E","2005","61","10","m1897","m1899","10.1107/S1600536805027078","","","0.71073","MoKα","","0.106","0.074","","","0.137","0.148","","","","","","1.18","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2212013","5.968","0.001","4.786","0.001","9.012","0.002","90","","90","","90","","257.41","0.09","290","","290","","","","","","","","","3","P n n m","-P 2 2n","58","cadmium orthoborate","Tricadmium bis(borate)","","- B2 Cd3 O6 -","- B2 Cd3 O6 -","- B4 Cd6 O12 -","2","0.25","BC3031","Zhao, Ying-Hua; Chen, Xue-An; Chang, Xin-An; Zuo, Jian-Long; Li, Ming","Tricadmium bis(borate), Cd~3~(BO~3~)~2~","Acta Crystallographica Section E","2007","63","2","i50","i52","10.1107/S160053680700267X","","","0.71073","MoKα","","0.0386","0.0342","","","0.119","0.123","","","","","","1.189","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216418","15.912","0.002","11.4246","0.0015","12.237","0.0016","90","","90","","90","","2224.5","0.5","298","2","298","2","","","","","","","","6","P n n m","-P 2 2n","58","","[6-Phenyl-2,4-bis(2-pyridylamino)-1,3,5-triazine]sulfatonickel(II) dihydrate","","- C19 H19 N7 Ni O6 S -","- C19 H19 N7 Ni O6 S -","- C76 H76 N28 Ni4 O24 S4 -","4","0.5","DN2269","Fu-Min Wang","[6-Phenyl-2,4-bis(2-pyridylamino)-1,3,5-triazine]sulfatonickel(II) dihydrate","Acta Crystallographica Section E","2007","63","12","m2996","m2997","10.1107/S1600536807056772","","","0.71073","MoKα","","0.0444","0.0341","","","0.0864","0.0921","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218027","13.123","0.005","7.722","0.005","10.5","0.005","90","","90","","90","","1064","0.9","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","Bis(4-methylpiperidinium) hexachloridostannate","","- C12 H28 Cl6 N2 Sn -","- C12 H28 Cl6 N2 Sn -","- C24 H56 Cl12 N4 Sn2 -","2","0.25","YA2069","Shahzadi, Saira; Khan, Hamid Nawaz; Ali, Saqib; Helliwell, Madeleine","Bis(4-methylpiperidinium) hexachloridostannate(IV)","Acta Crystallographica Section E","2008","64","4","m573","","10.1107/S1600536808007368","","","0.71069","MoKα","","0.021","0.018","","","0.039","0.04","","","","","","1.04","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2219402","5.0669","0.0006","5.8739","0.0007","3.1346","0.0004","90","","90","","90","","93.29","0.02","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","safflorite","Cobalt-iron-nickel diarsenide","","- As1.99 Co0.61 Fe0.17 Ni0.22 S0.01 -","- As2 Co -","- As4 Co2 -","2","0.25","MG2054","Yang, Hexiong; Downs, Robert T.; Eichler, Carla","Safflorite, (Co,Ni,Fe)As~2~, isomorphous with marcasite","Acta Crystallographica Section E","2008","64","9","i62","","10.1107/S1600536808026688","","","0.71073","MoKα","","0.0288","0.0253","","","0.0599","0.0607","","","","","","0.912","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2221179","7.7313","0.0017","12.799","0.003","6.9313","0.0016","90","","90","","90","","685.9","0.3","296","2","296","2","","","","","","","","5","P n n m","-P 2 2n","58","Potassium oxalurate monohydrate","poly[aqua-μ~3~-oxalurato-potassium(I)]","","- C3 H5 K N2 O5 -","- C3 H5 K N2 O5 -","- C12 H20 K4 N8 O20 -","4","0.5","SI2155","Zhang, Lian-Feng","Potassium oxalurate monohydrate","Acta Crystallographica Section E","2009","65","3","m308","m309","10.1107/S1600536809005637","","","0.71073","MoKα","","0.0282","0.0258","","","0.0747","0.077","","","","","","1.086","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225624","15.4464","0.0018","7.9532","0.001","14.2407","0.0015","90","","90","","90","","1749.4","0.4","298","2","298","2","","","","","","","","7","P n n m","-P 2 2n","58","","Bis[μ-2-(2,4-difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2- olato]dicopper(II) bis(perchlorate)","","- C26 H22 Cl2 Cu2 F4 N12 O10 -","- C26 H22 Cl2 Cu2 F4 N12 O10 -","- C52 H44 Cl4 Cu4 F8 N24 O20 -","2","0.25","KP2237","Luo, Zhi-Rong; Hu, Fei-Long; Zhuang, Yue; Yin, Xian-Hong; Wu, Qiao-Lan","Bis[μ-2-(2,4-difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-olato]dicopper(II) bis(perchlorate)","Acta Crystallographica Section E","2010","66","4","m391","","10.1107/S1600536810008512","","","0.71073","MoKα","","0.0609","0.0399","","","0.1046","0.1288","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2232985","8.5478","0.0016","8.7207","0.0016","6.2961","0.0012","90","","90","","90","","469.33","0.15","293","2","293","2","","","","","","","Langban, Filipstad, Varmland, Sweden","4","P n n m","-P 2 2n","58","Eveite","dimanganese(II) arsenate(V) hydroxide","Eveite","- As H Mn2 O5 -","- As H Mn2 O5 -","- As4 H4 Mn8 O20 -","4","0.5","WM2546","Yang, Yongbo W.; Stevenson, Ryan A.; Siegel, Alesha M.; Downs, Gordon W.","Redetermination of eveite, Mn~2~AsO~4~(OH), based on single-crystal X-ray diffraction data","Acta Crystallographica Section E","2011","67","12","i68","i68","10.1107/S1600536811044266","","","0.71073","MoKα","","0.0227","0.0206","","","0.0542","0.0553","","","","","","1.087","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:40",""
"2233311","13.0387","0.0009","26.6742","0.0019","4.2351","0.0003","90","","90","","90","","1472.95","0.18","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","caesium samarium(III) selenide","tricaesium heptasamarium(III) dodecaselenide","","- Cs3 Se12 Sm7 -","- Cs3 Se12 Sm7 -","- Cs6 Se24 Sm14 -","2","0.25","WM2561","Schneck, Christof; Elbe, Andreas; Schurz, Christian M.; Schleid, Thomas","Cs~3~Sm~7~Se~12~","Acta Crystallographica Section E","2012","68","1","i2","","10.1107/S1600536811051919","","","0.71069","MoKα","","0.0593","0.0346","","","0.0673","0.0724","","","","","","0.968","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234693","6.112","0.004","14.278","0.008","22.395","0.012","90","","90","","90","","1954","2","293","","293","","","","","","","","","5","P n n m","-P 2 2n","58","","Poly[[dodecaaqua(μ~4~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>')dicerium(III)] bis(benzene-1,4-dicarboxylate)]","","- C17 H22 Ce N O12 -","- C17 H22 Ce N O12 -","- C68 H88 Ce4 N4 O48 -","4","0.5","IS5110","Kumagai, Hitoshi; Sakamoto, Yoshiyuki; Kawata, Satoshi; Inagaki, Shinji","Poly[[dodecaaqua(μ~4~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')dicerium(III)] bis(benzene-1,4-dicarboxylate)]","Acta Crystallographica Section E","2012","68","5","m643","m644","10.1107/S1600536812016388","","","0.7107","MoKα","","","0.0338","","","","0.0678","","","","","","1.392","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234733","14.5262","0.0004","14.6086","0.0006","10.8338","0.0004","90","","90","","90","","2299.01","0.14","193","2","193","2","","","","","","","","7","P n n m","-P 2 2n","58","","Di-μ~2~-chlorido-dichloridooctamethyldi-μ~3~-oxido-tetratin(IV) bis[chloridodimethyl(pyrrolidine-1-carbodithioato- κ^2^<i>S</i>,<i>S</i>')tin(IV)]","","- C22 H52 Cl6 N2 O2 S4 Sn6 -","- C22 H52 Cl6 N2 O2 S4 Sn6 -","- C44 H104 Cl12 N4 O4 S8 Sn12 -","2","0.25","LR2051","Rodríguez, Nicolás; Brandão, Pedro F. B.; Okio, Coco K. Y. A.","Di-μ~2~-chlorido-dichloridooctamethyldi-μ~3~-oxido-tetratin(IV) bis[chloridodimethyl(pyrrolidine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>')tin(IV)]","Acta Crystallographica Section E","2012","68","5","m672","","10.1107/S1600536812017485","","","0.71073","MoKα","","0.0348","0.0284","","","0.0637","0.0661","","","","","","1.123","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238079","9.162","0.001","20.869","0.007","7.566","0.002","90","","90","","90","","1446.6","0.6","298","2","298","2","","","","","","","","6","P n n m","-P 2 2n","58","","Bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridoantimonate(III)] dihydrate","","- C12 H32 Cl10 N4 O2 Sb2 -","- C12 H28 Cl10 N4 O2 Sb2 -","- C24 H56 Cl20 N8 O4 Sb4 -","2","0.25","WM2740","Ben Rhaiem, Tarek; Boughzala, Habib; Driss, Ahmed","Bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridoantimonate(III)] dihydrate","Acta Crystallographica Section E","2013","69","6","m330","","10.1107/S160053681301307X","","","0.71073","MoKα","","0.0289","0.0227","","","0.0579","0.0608","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239824","22.0299","0.0004","4.8802","0.0001","8.3995","0.0002","90","","90","","90","","903.03","0.03","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","","Di(strontium/lead) hexaaluminate","","- Al6 O11 Pb0.35 Sr1.65 -","- Al6 O11 Pb0.3472 Sr1.6528 -","- Al24 O44 Pb1.3888 Sr6.6112 -","4","0.5","HB0009","Weil, Matthias","Crystal structure of the solid solution (Sr~1.65~Pb~0.35~)Al~6~O~11~","Acta Crystallographica Section E","2014","70","9","i45","","10.1107/S1600536814010216","","","0.71073","MoKα","","0.0345","0.0269","","","0.0585","0.0608","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2241623","7.7468","0.0003","15.1573","0.0004","7.2328","0.0007","90","","90","","90","","849.28","0.09","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","<i>catena</i>-Poly[[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^<i>N</i>^1^:<i>N</i>^4^]","","- C16 H26 Co N2 O4 -","- C16 H26 Co N2 O4 -","- C32 H52 Co2 N4 O8 -","2","0.25","WM5278","Dumitru, Florina; Englert, Ulli; Braun, Beatrice","Orientational disorder in the one-dimensional coordination polymer <i>catena</i>-poly[[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^<i>N</i>^1^:<i>N</i>^4^]","Acta Crystallographica Section E","2016","72","4","548","551","10.1107/S205698901600428X","","","0.71073","MoKα","","0.0237","0.0199","","","0.0541","0.055","","","","","","1.09","","","","has coordinates,has Fobs","180665","2020-10-21","18:00:00",""
"2242026","11.8807","0.0004","12.1279","0.0007","8.3962","0.0002","90","","90","","90","","1209.79","0.09","173","2","173","2","","","","","","","","5","P n n m","-P 2 2n","58","","Bis(1-ethylpyridinium) dioxonium hexacyanidoferrate(II)","","- C20 H26 Fe N8 O2 -","- C20 H26 Fe N8 O2 -","- C40 H52 Fe2 N16 O4 -","2","0.25","WM5355","Tanaka, Rikako; Matsushita, Nobuyuki","Crystal structure of bis(1-ethylpyridinium) dioxonium hexacyanidoferrate(II)","Acta Crystallographica Section E","2017","73","2","219","222","10.1107/S2056989017000810","","","0.7107","MoKα","","0.0455","0.036","","","0.0852","0.0927","","","","","","1.108","","","","has coordinates,has Fobs","190795","2020-10-21","18:00:00",""
"2244157","13.395","0.004","9.251","0.002","12.368","0.004","90","","90","","90","","1532.6","0.8","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","","hexarubidium hexahydroxydodecaborate dihydrate, Rb~6~[B~12~O~18~(OH)~6~]\χdot2H~2~O","","- B12 H10 O26 Rb6 -","- B12 H10 O26 Rb6 -","- B24 H20 O52 Rb12 -","2","0.25","TX2056","Qiu, Qi-Ming; Yan, Li; Song, Jian-Biao","Crystal structure of Rb~6~[B~12~O~18~(OH)~6~]·2H~2~O","Acta Crystallographica Section E","2022","78","10","971","973","10.1107/S2056989022008611","","","0.71073","MoKα","","0.0785","0.0606","","","0.1637","0.1732","","","","","","1.07","","","","has coordinates,has Fobs","279114","2022-11-08","19:40:43",""
"2310329","7.679","","7.727","","5.666","","90","","90","","90","","336.196","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Al2 (Si O4) O","","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Oganov, A. P.; Price, G. D.; Brodholt, J. P.","Theoretical investigation of metastable Al~2~SiO~5~ polymorphs","Acta Crystallographica Section A","2001","57","5","548","557","10.1107/S0108767301007644","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310457","11.35","","14.06","","3.32","","90","","90","","90","","529.809","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Ti2 S","","- S Ti2 -","- S Ti2 -","- S12 Ti24 -","12","1.5","","Owens, J.P.; Conard, B.R.; Franzen, H.F.","The crystal structure of Ti2 S","Acta Crystallographica (1,1948-23,1967)","1967","23","","77","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310476","6.621","","5.957","","3.48","","90","","90","","90","","137.256","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Cr Cl2","","- Cl2 Cr -","- Cl2 Cr -","- Cl4 Cr2 -","2","0.25","","Rundle, R.E.; Scheringer, C.","The crystal structure of chromium(II) chloride","Acta Crystallographica (1,1948-23,1967)","1961","14","","927","929","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310689","13.22","","10.58","","7.88","","90","","90","","90","","1102.16","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","(N H3)5 Co O2 Co (N H3)5 (S C N)4","","- C4 H30 Co2 N14 O2 S4 -","- C4 Co2 N14 O2 S4 -","- C8 Co4 N28 O4 S8 -","2","0.25","","Vannerberg, N.I.","The Crystal Structure of Decammine-mue-peroxodicobalt(III) Tetrathiocyanate","Acta Crystallographica (1,1948-23,1967)","1965","18","","449","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","151818","2020-10-21","18:00:00",""
"2310708","11.752","","14.534","","3.453","","90","","90","","90","","589.785","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Ti2 Se","","- Se Ti2 -","- Se Ti2 -","- Se12 Ti24 -","12","1.5","","Albe, K.; Weirich, T. E.","Structure and stability of α- and β-Ti~2~Se. Electron diffraction versus density-functional theory calculations","Acta Crystallographica Section A","2003","59","1","18","21","10.1107/S0108767302018275","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311663","6.14102","0.00007","11.8451","0.00016","15.5509","0.0003","90","","90","","90","","1131.19","0.03","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C5 H4 Fe N6 Na2 O3 -","- C5 H4 Fe N6 Na2 O3 -","- C20 H16 Fe4 N24 Na8 O12 -","4","0.5","GW5033","Wenger, Emmanuel; Dahaoui, Slimane; Alle, Paul; Parois, Pascal; Palin, Cyril; Lecomte, Claude; Schaniel, Dominik","XPAD X-ray hybrid pixel detector for charge density quality diffracted intensities on laboratory equipment.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","783","791","10.1107/S2052520614017338","","","0.71073","MoKα","","0.0456","0.0245","","","0.056","0.0624","","","","","","0.901","","","","has coordinates","246073","2020-10-21","18:00:00",""
"2311987","7.1692","0.0003","14.2434","0.0006","14.7445","0.0006","90","","90","","90","","1505.62","0.11","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","Dipyridinegold(I) diiodidoaurate(I)","","- C10 H10 Au2 I2 N2 -","- C10 H10 Au2 I2 N2 -","- C40 H40 Au8 I8 N8 -","4","0.5","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)<sub>2</sub>H]<sup>+</sup>·[AuI<sub>2</sub>]<sup>-</sup> and of two polymorphs of [(3,4-lut)<sub>2</sub>H<sup>+</sup>]<sub>2</sub>·[AuI<sub>2</sub>]<sup>-</sup>·I<sup/>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.0305","0.0251","","","0.0532","0.0555","","","","","","1.072","","","","has coordinates","246229","2020-10-21","18:00:00",""
"4000191","15.693","0.002","16.914","0.003","11.0355","0.0016","90","","90","","90","","2929.2","0.8","173","2","173","2","","","","","","","","8","P n n m","-P 2 2n","58","linked tugsten sulfido cyanide cluster","bis potassium bis zinc(II) octakis(mu!3$-sulfido)-hexakis(cyanide) -hexa-tungsten- 30(water)solvate","","- C6 H60 K2 N6 O30 S8 W6 Zn2 -","- C6 K2 N6 O30.02 S8 W6 Zn2 -","- C12 K4 N12 O60.04 S16 W12 Zn4 -","2","0.25","","Jin, Song; DiSalvo, Francis J.","3-D Coordination Network Structures Constructed from [W6S8(CN)6]6- Anions","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.1064","0.0555","","","0.1057","0.1189","","","","","","1.207","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000192","11.93","0.002","16.03","0.003","11.5","0.002","90","","90","","90","","2199.2","0.3","100","1","100","1","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Bi4.6 Ca1.1 O10.5 V -","- Bi4.66375 Ca1.08625 O10.5 V -","- Bi37.31 Ca8.69 O84 V8 -","8","1","","Radosavljevic Evans, Ivana; Tao, Shanwen; Irvine, John T. S.; Howard, Judith A. K.","Synthesis, Crystal Structure, and Oxide Ion Conductivity in Bi~4.6~Ca~1.1~VO~10.5~","Chemistry of Materials","2002","14","9","3700","3704","10.1021/cm021158g","","","","","","","0.0767","","","","0.0911","","","","","","1.0236","","","","has coordinates","218974","2020-10-21","18:00:00",""
"4002022","9.5928","0.0002","21.3991","0.0005","5.8889","0.0002","90","","90","","90","","1208.86","0.06","299","2","299","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Al7 Ba4.75 Eu0.25 N25 Si11 -","- Al7.0002 Ba4.75 Eu0.25 N25 Si10.9998 -","- Al14.0004 Ba9.5 Eu0.5 N50 Si21.9996 -","2","0.25","","Hirosaki, Naoto; Takeda, Takashi; Funahashi, Shiro; Xie, Rong-Jun","Discovery of New Nitridosilicate Phosphors for Solid State Lighting by the Single-Particle-Diagnosis Approach","Chemistry of Materials","2014","26","14","4280","","10.1021/cm501866x","","","0.71073","MoKα","","0.0353","0.0244","","","","0.0535","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002928","14.1466","0.0007","16.3002","0.001","3.7489","0.0002","90","","90","","90","","864.47","0.08","100","2","100.15","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- As6 Ge6 K4 -","- As6 Ge6 K4 -","- As12 Ge12 K8 -","2","0.25","","Eulenstein, Armin R.; Bogdanovski, Dimitri; Reinhardt, Hendrik; Miß, Vanessa; Roling, Bernhard; Hampp, Norbert; Dronskowski, Richard; Dehnen, Stefanie","K2Ge3As3: Fiberlike Crystals of a Narrow-Band-Gap Zintl Phase with a One-Dimensional Substructure ∞1{(Ge3As3)2‒}","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02827","","","0.71073","MoKα","","0.0695","0.0526","","","0.1413","0.1521","","","","","","1.047","","","","has coordinates","219551","2020-10-21","18:00:00",""
"4003239","17.1512","0.0006","21.8564","0.0007","4.5358","0.0002","90","","90","","90","","1700.31","0.11","100","","100","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C8 H26 I8 N4 O2 Pb3 -","- C8 H26 I8 N4 O2 Pb3 -","- C16 H52 I16 N8 O4 Pb6 -","2","0.25","","Umeyama, Daiki; Lin, Yu; Karunadasa, Hemamala I.","Red-to-Black Piezochromism in a Compressible Pb‒I‒SCN Layered Perovskite","Chemistry of Materials","2016","28","10","3241","","10.1021/acs.chemmater.6b01147","","","0.71073","MoKα","","0.0255","0.0221","","","0.045","0.0459","","","","","","1.11","","","","has coordinates,has disorder","231455","2020-10-21","18:00:00",""
"4003560","5.0991","0.0002","5.3298","0.0002","8.8729","0.0003","90","","90","","90","","241.14","0.015","323","","323","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- In2 Li O6 Sb -","- In2 Li O6 Sb -","- In4 Li2 O12 Sb2 -","2","0.25","","Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.","LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01491","","","0.71073","MoKα","","0.0234","0.0194","","","0.0507","0.0537","","","","","","1.055","","","","has coordinates","252282","2020-10-21","18:00:00",""
"4003561","5.117","0.0003","5.3335","0.0003","8.8794","0.0006","90","","90","","90","","242.33","0.03","500","","500.01","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- In2 Li O6 Sb -","- In2 Li O6 Sb -","- In4 Li2 O12 Sb2 -","2","0.25","","Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.","LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01491","","","0.71073","MoKα","","0.0317","0.026","","","0.0659","0.0735","","","","","","0.968","","","","has coordinates","252283","2020-10-21","18:00:00",""
"4003562","5.0902","0.0004","5.3328","0.0004","8.8813","0.0006","90","","90","","90","","241.08","0.03","100","2","99.96","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- In2 Li O6 Sb -","- In2 Li O6 Sb -","- In4 Li2 O12 Sb2 -","2","0.25","","Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.","LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01491","","","0.71073","MoKα","","0.0241","0.0206","","","0.0547","0.0567","","","","","","1.134","","","","has coordinates","252284","2020-10-21","18:00:00",""
"4021113","14.7183","0.0008","4.8658","0.0003","10.0319","0.0005","90","","90","","90","","718.45","0.07","295","2","295","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C40 H24 N4 -","2","0.25","","Ken-Tsung Wong; Fu-Chuan Fang; Yi-Ming Cheng; Pi-Tai Chou; Gene-Hsiang Lee; Yu Wang","A New Series of Pyrimidine-Containing Linear Molecules: Their Elegant Crystal Structures and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","8038","8044","10.1021/jo048914h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4023021","5.8309","0.0002","15.9227","0.0005","20.984","0.0006","90","","90","","90","","1948.23","0.11","100","2","100","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C48 H38 Cl4 -","- C48 H38 Cl4 -","- C96 H76 Cl8 -","2","0.25","","Moloy Banerjee; Susanna J. Emond; Sergey V. Lindeman; Rajendra Rathore","Practical Synthesis of Unsymmetrical Tetraarylethylenes and Their Application for the Preparation of [Triphenylethylene-Spacer-Triphenylethylene] Triads","Journal of Organic Chemistry","2007","72","","8054","8061","10.1021/jo701474y","","","1.54178","CuKα","","0.0768","0.0748","","","0.1717","0.1728","","","","","","1.044","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4031227","6.584","","6.871","","4.342","","90","","90","","90","","196.426","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Ca Br2","","- Br2 Ca -","- Br2 Ca -","- Br4 Ca2 -","2","0.25","","Brackett, E.B.; Brackett, T.E.; Sass, R.L.","The crystal structure of calcium bromide","Journal of Inorganic and Nuclear Chemistry","1963","25","","1295","1296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4039022","8.0533","0.0003","9.6682","0.0003","7.3499","0.0003","90","","90","","90","","572.27","0.04","150","","150","","","","","","","","","4","P n n m","-P 2 2n","58","","bensene-1,2,4,5-tetraaminium tetrachloride","","- C6 H14 Cl4 N4 -","- C6 H14 Cl4 N4 -","- C12 H28 Cl8 N8 -","2","0.25","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.34139","GaKα","","0.0224","0.0224","","","0.0562","0.0562","","","","","","1.121","","","","has coordinates,has Fobs","288034","2023-12-05","13:40:42",""
"4061363","14.4849","0.0011","16.526","0.0012","17.2483","0.0013","90","","90","","90","","4128.9","0.5","223","2","223","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C37 H58 Cl4 Ru3 S3 -","- C37 H58 Cl4 Ru3 S3 -","- C148 H232 Cl16 Ru12 S12 -","4","0.5","","Shin, Richard Y. C.; Ng, Sin Yee; Tan, Geok Kheng; Koh, Lip Lin; Khoo, Soo Beng; Goh, Lai Yoong; Webster, Richard","Syntheses and X-ray Crystal Structures of Di- and Tri-Nuclear Trithiolate/thioether Bridged Complexes of Ruthenium . Electrochemistry of Mixed Valence Triruthenium Complexes.","Organometallics","2004","23","3","547","558","10.1021/om034189+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133689","2020-10-21","18:00:00",""
"4065631","19.935","0.008","12.762","0.005","19.086","0.008","90","","90","","90","","4856","3","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C35 H36 F6 N8 O6 Pd S2 -","- C33 H36 N8 Pd -","- C132 H144 N32 Pd4 -","4","0.5","","Xiao, Xu-Qiong; Jia, Ai-Quan; Lin, Yue-Jian; Jin, Guo-Xin","Self-Assembly of Palladium-Based Macrocycles with N-Heterocyclic Carbene as the “Corner” Ligand†","Organometallics","2010","29","21","4842","","10.1021/om100040g","","","0.71073","MoKα","","0.107","0.0523","","","0.1032","0.111","","","","","","0.833","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4066917","15.1003","0.0005","11.6868","0.0004","7.3957","0.0002","90","","90","","90","","1305.15","0.07","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C9 H16 Mo N6 O2 -","- C9 H16 Mo N6 O2 -","- C36 H64 Mo4 N24 O8 -","4","0.5","","Liu, Fu-Chen; Lin, Yu-Liang; Yang, Pei-Shan; Lee, Gene-Hsian; Peng, Shie-Ming","[3+2] Cycloadditions of Molybdenum(II) Azide Complexes with Nitriles and an Alkyne","Organometallics","2010","29","19","4282","","10.1021/om1007083","","","0.71073","MoKα","","0.0973","0.0857","","","0.2039","0.2084","","","","","","1.22","","","","has coordinates,has disorder","178561","2020-10-21","18:00:00",""
"4070804","20.384","0.006","22.015","0.007","24.629","0.008","90","","90","","90","","11052","6","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C55 H85 B30 Cl3 N6 Ru3 S6 -","- C55 H70 B30 Cl3 N6 Ru3 S6 -","- C220 H280 B120 Cl12 N24 Ru12 S24 -","4","0.5","","Zhang, Jia-Sheng; Liu, Shuang; Wang, Guo-Liang; Lin, Yue-Jian; Jin, Guo-Xin","Self-Assembly of Trinuclear Half-Sandwich Metal (Co and Ru) Complexes Containing Ancillaryortho-Carborane-1,2-dithiolato Ligands","Organometallics","2008","27","6","1112","","10.1021/om701031w","","","0.71073","MoKα","","0.1114","0.0452","","","0.1089","0.1166","","","","","","0.772","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4071099","13.066","0.005","15.12","0.004","16.021","0.005","90","","90","","90","","3165.1","1.8","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C33 H42 N O P Ru2 -","- C33 H43 N O P Ru2 -","- C132 H172 N4 O4 P4 Ru8 -","4","0.5","","Takemoto, Shin; Kimura, Yu; Kamikawa, Ken; Matsuzaka, Hiroyuki","P−H Bond Addition to a Dinuclear Ruthenium Imido Complex: Synthesis and Reactivity of an Amido Phosphido Complex","Organometallics","2008","27","8","1780","","10.1021/om701260y","","","0.71075","MoKα","","0.0338","0.0293","","","0.0771","0.0802","","","","","","1.032","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071838","17.4413","0.0006","6.7479","0.0002","15.0143","0.0006","90","","90","","90","","1767.07","0.11","200","","200","","","","","","","","local","7","P n n m","-P 2 2n","58","","","","- C11 H15 B Mo N5 O3.5 S2 -","- C11 H15 B Mo N5 O3.5 S2 -","- C44 H60 B4 Mo4 N20 O14 S8 -","4","0.5","","Abernethy, Robyn J.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Tshabang, Never; Willis, Anthony C.; Young, Rowan D.","Poly(methimazolyl)borato Nitrosyl Complexes of Molybdenum and Tungsten","Organometallics","2008","27","17","4455","","10.1021/om800416j","","","0.71073","MoKα","","0.0664","0.0332","","0.0711","0.0377","0.0377","","","","","","1.1528","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074413","14.9244","0.0009","16.4672","0.001","11.2788","0.0007","90","","90","","90","","2771.9","0.3","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C28 H39 Cl2 N3 Ru -","- C28 H39 Cl2 N3 Ru -","- C112 H156 Cl8 N12 Ru4 -","4","0.5","","Hejl, Andrew; Day, Michael W.; Grubbs, Robert H.","Latent Olefin Metathesis Catalysts Featuring Chelating Alkylidenes","Organometallics","2006","25","26","6149","","10.1021/om060620u","","","0.71073","MoKα","","0.1089","0.0575","","","0.0784","0.0843","","","","","","1.576","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076987","15.09","0.002","15.357","0.002","16.789","0.002","90","","90","","90","","3890.6","0.9","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C74 H110 Ba N8 Ti6 -","- C74 H93.96 Ba N8 Ti6 -","- C148 H187.92 Ba2 N16 Ti12 -","2","0.25","","Martín, Avelino; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Titanium−Group 2 Metal Molecular Nitrides","Organometallics","2002","21","16","3308","","10.1021/om020379t","","","0.71073","MoKα","","0.2038","0.0824","","","0.2058","0.2605","","","","","","1.022","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4078605","12.0473","0.0012","12.2173","0.0012","18.4801","0.0018","90","","90","","90","","2720","0.5","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C41.42 H60 Co N3 Ni9 O15.42 -","- C41.42 H60 Co N3 Ni9 O15.42 -","- C82.84 H120 Co2 N6 Ni18 O30.84 -","2","0.25","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1)","Organometallics","2012","31","12","4593","","10.1021/om300412d","","","0.71073","MoKα","","0.0442","0.0407","","","0.1011","0.1027","","","","","","1.225","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078606","11.997","0.0011","12.2347","0.0011","18.442","0.0017","90","","90","","90","","2706.9","0.4","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C41.29 H60 Co N3 Ni9 O15.3 -","- C41.282 H61 Co N3 Ni9 O15.282 -","- C82.564 H122 Co2 N6 Ni18 O30.564 -","2","0.25","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1)","Organometallics","2012","31","12","4593","","10.1021/om300412d","","","0.71073","MoKα","","0.0409","0.033","","","0.0859","0.0917","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078607","11.996","0.0016","12.2702","0.0016","18.406","0.002","90","","90","","90","","2709.2","0.6","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C41.17 H60 Co N3 Ni9 O15.16 -","- C41.182 H60 Co N3 Ni9 O15.182 -","- C82.364 H120 Co2 N6 Ni18 O30.364 -","2","0.25","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1)","Organometallics","2012","31","12","4593","","10.1021/om300412d","","","0.71073","MoKα","","0.0496","0.0458","","","0.1276","0.1309","","","","","","1.179","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078608","11.9946","0.0013","12.2638","0.0014","18.415","0.002","90","","90","","90","","2708.8","0.5","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C41.19 H60 Co N3 Ni9 O15.18 -","- C41.176 H60 Co N3 Ni9 O15.176 -","- C82.352 H120 Co2 N6 Ni18 O30.352 -","2","0.25","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1)","Organometallics","2012","31","12","4593","","10.1021/om300412d","","","0.71073","MoKα","","0.0631","0.0512","","","0.1429","0.1502","","","","","","1.156","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4084796","29.675","0.019","9.355","0.006","11.583","0.007","90","","90","","90","","3216","4","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","Sad317","","","- C31.5 H47 B N3 O3 Rh -","- C29 H41 B N3 O3 Rh -","- C116 H164 B4 N12 O12 Rh4 -","4","0.5","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.1009","0.0855","","","0.2007","0.2128","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085239","15.019","0.003","10.127","0.002","10.592","0.002","90","","90","","90","","1611","0.5","290","2","290","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C6 H26 B22 Cs2 Hg I2 N2 -","- C6 H26 B22 Cs2 Hg I2 N2 -","- C12 H52 B44 Cs4 Hg2 I4 N4 -","2","0.25","","Himmelspach, Alexander; Warneke, Jonas; Schäfer, Marius; Hailmann, Michael; Finze, Maik","Salts of the Dianions [Hg(12-X-closo-1-CB11H10)2]2‒(X = I, C≡CH, C≡CFc, C≡CSiiPr3): Synthesis and Spectroscopic and Structural Characterization","Organometallics","2015","34","2","462","","10.1021/om5009956","","","0.71073","MoKα","","0.037","0.0301","","","0.0933","0.0966","","","","","","1.006","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4086929","26.663","0.004","9.2503","0.0015","10.0619","0.0017","90","","90","","90","","2481.7","0.7","100","0.5","100","0.5","","","","","","","","7","P n n m","-P 2 2n","58","sjfbk53","","","- C22 H23 F3 N2 O8 S Si -","- C21.9998 H23 F2.9994 N2 O7.9994 S0.9998 Si -","- C87.9992 H92 F11.9976 N8 O31.9976 S3.9992 Si4 -","4","0.5","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.068","0.0469","","","0.1252","0.1395","","","","","","1.072","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4100243","16.0353","0.0015","25.543","0.002","15.0618","0.0014","90","","90","","90","","6169.2","1","90","","90","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C109 H50 N S2 Sc3 -","- C109 H50 N S2 Sc2.9956 -","- C436 H200 N4 S8 Sc11.9824 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100976","19.476","0.004","20.192","0.004","18.567","0.004","90","","90","","90","","7302","3","233","2","233","2","","","","","","","","5","P n n m","-P 2 2n","58","CB10 @ bis-diammonium tetraidodide hydrate","","","- C94 H167.87 I4 N54 O54.94 -","- C94 H102 I4 N54 O54.9 -","- C188 H204 I8 N108 O109.8 -","2","0.25","","Liu, Simin; Zavalij, Peter Y.; Isaacs, Lyle","Cucurbit[10]uril.","Journal of the American Chemical Society","2005","127","48","16798","16799","10.1021/ja056287n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4102207","17.494","0.003","12.92","0.002","14.762","0.002","90","","90","","90","","3336.5","0.9","97","2","97","2","","","","","","","","5","P n n m","-P 2 2n","58","(Et4N)[Ni(PyN2(Me2))HCO3] H2O","","","- C32 H44 N4 Ni O6 -","- C32 H22 N4 Ni O6 -","- C128 H88 N16 Ni4 O24 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0861","0.0777","","","0.2093","0.2158","","","","","","1.196","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105298","5.0252","0.0009","6.1941","0.0011","3.7447","0.0007","90","","90","","90","","116.56","0.04","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Cu Se2 -","- Cu Se2 -","- Cu2 Se4 -","2","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.34194","","16.26","","","","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4106795","8.7268","0.001","18.294","0.002","20.348","0.002","90","","90","","90","","3248.5","0.6","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H26 Cd I2 N8 -","- C40 H26 Cd I2 N8 -","- C80 H52 Cd2 I4 N16 -","2","0.25","","Lucas D. DeVries; Paul M. Barron; Evan P. Hurley; Chunhua Hu; Wonyoung Choe","""Nanoscale Lattice Fence"" in a Metal-Organic Framework: Interplay between Hinged Topology and Highly Anisotropic Thermal Response","Journal of the American Chemical Society","2011","133","","14848","14851","10.1021/ja2032822","","","0.71073","MoKα","","0.05","0.0425","","","0.1203","0.1248","","","","","","1.044","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106796","8.8045","0.0006","18.2945","0.0013","20.364","0.0015","90","","90","","90","","3280.1","0.4","200","2","200","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H26 Cd I2 N8 -","- C40 H26 Cd I2 N8 -","- C80 H52 Cd2 I4 N16 -","2","0.25","","Lucas D. DeVries; Paul M. Barron; Evan P. Hurley; Chunhua Hu; Wonyoung Choe","""Nanoscale Lattice Fence"" in a Metal-Organic Framework: Interplay between Hinged Topology and Highly Anisotropic Thermal Response","Journal of the American Chemical Society","2011","133","","14848","14851","10.1021/ja2032822","","","0.71073","MoKα","","0.0636","0.0476","","","0.1273","0.1347","","","","","","1.011","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106797","8.9939","0.0017","18.27","0.004","20.38","0.004","90","","90","","90","","3348.8","1.2","297","2","297","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H26 Cd I2 N8 -","- C40 H26 Cd I2 N8 -","- C80 H52 Cd2 I4 N16 -","2","0.25","","Lucas D. DeVries; Paul M. Barron; Evan P. Hurley; Chunhua Hu; Wonyoung Choe","""Nanoscale Lattice Fence"" in a Metal-Organic Framework: Interplay between Hinged Topology and Highly Anisotropic Thermal Response","Journal of the American Chemical Society","2011","133","","14848","14851","10.1021/ja2032822","","","0.71073","MoKα","","0.0622","0.0453","","","0.124","0.1305","","","","","","1.034","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4108062","12.601","0.005","14.722","0.006","16.085","0.006","90","","90","","90","","2984","2","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C32 H42 N2 Rh2 -","- C32 H40 N2 Rh2 -","- C128 H160 N8 Rh8 -","4","0.5","","Shin Takemoto; Shohei Otsuki; Yasuhiro Hashimoto; Ken Kamikawa; Hiroyuki Matsuzaka","Divalent Dirhodium Imido Complexes: Formation, Structure, and Alkyne Cycloaddition Reactivity","Journal of the American Chemical Society","2008","130","","8904","8905","10.1021/ja8033922","","","0.71075","MoKα","","0.0592","0.0485","","","0.1001","0.1038","","","","","","1.215","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4109473","30.317","0.012","19.411","0.008","24.161","0.009","90","","90","","90","","14218","10","100","0.2","100","0.2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C48 H30 O13 Zn4 -","- C48 H30 O13 Zn4 -","- C192 H120 O52 Zn16 -","4","0.5","","Christina A. Bauer; Tatiana V. Timofeeva; Thomas B. Settersten; Brian D. Patterson; Vincent H. Liu; Blake A. Simmons; Mark D. Allendorf","Influence of Connectivity and Porosity on Ligand-Based Luminescence in Zinc Metal-Organic Frameworks","Journal of the American Chemical Society","2007","129","","7136","7144","10.1021/ja0700395","","","0.71073","MoKα","","0.1065","0.0656","","","0.1531","0.1662","","","","","","1.001","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4113237","27.4266","0.0017","21.6592","0.0015","23.647","0.0016","90","","90","","90","","14047.2","1.6","295","2","295","2","","","","","","","","9","P n n m","-P 2 2n","58","(1+Br-An)(OTf)4+Et2O","","","- C118 H90 Au4 Br F12 N4 O13 P4 S4 -","- C118 H90 Au4 Br F12 N4 O13 P4 S4 -","- C472 H360 Au16 Br4 F48 N16 O52 P16 S16 -","4","0.5","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.1191","0.066","","","0.2076","0.2444","","","","","","1.047","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113628","7.4119","0.0009","14.0747","0.0018","18.681","0.002","90","","90","","90","","1948.8","0.4","293","2","167","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0649","0.0453","","","0.1025","0.1083","","","","","","1.032","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113629","7.4158","0.0018","14.071","0.004","18.697","0.005","90","","90","","90","","1951","0.9","233","2","233","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0672","0.0461","","","0.1104","0.1178","","","","","","1.037","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113630","7.418","0.003","14.07","0.005","18.706","0.007","90","","90","","90","","1952.4","1.3","293","2","269","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0769","0.0513","","","0.1209","0.131","","","","","","1.048","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113631","7.418","0.003","14.068","0.005","18.715","0.007","90","","90","","90","","1953","1.3","300","2","300","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.067","0.0438","","","0.1085","0.116","","","","","","1.014","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113633","7.4105","0.0006","14.0764","0.0011","18.6746","0.0014","90","","90","","90","","1948","0.3","133","2","133","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.068","0.0511","","","0.1107","0.1158","","","","","","1.108","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113634","7.421","0.004","14.066","0.007","18.726","0.009","90","","90","","90","","1954.7","1.7","333","2","333","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0746","0.0469","","","0.117","0.1291","","","","","","0.985","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113635","7.424","0.005","14.065","0.009","18.743","0.009","90","","90","","90","","1957","2","367","2","367","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6892","","","0.0894","0.0539","","","0.1378","0.1533","","","","","","0.963","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113636","7.426","0.007","14.066","0.004","18.752","0.007","90","","90","","90","","1959","2","379","2","379","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6883","","","0.1799","0.0882","","","0.1744","0.1977","","","","","","1.19","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113637","7.429","0.006","14.067","0.011","18.765","0.014","90","","90","","90","","1961","3","408","2","408","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris","An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite","Journal of the American Chemical Society","2003","125","","4342","4349","10.1021/ja0292400","","","0.6883","","","0.2154","0.0998","","","0.1981","0.2281","","","","","","1.167","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4116235","17.372","0.002","6.8151","0.0007","15.17","0.003","90","","90","","90","","1796","0.5","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C11 H12 B N4 O3 Re S2 -","- C14 H12 B N4 O3 Re S2 -","- C56 H48 B4 N16 O12 Re4 S8 -","4","0.5","","Raquel Garcia; António Paulo; Ângela Domingos; Isabel Santos; Kirstin Ortner; Roger Alberto","Re and Tc Complexes Containing B-H...M Agostic Interactions as Building Blocks for the Design of Radiopharmaceuticals","Journal of the American Chemical Society","2000","122","","11240","11241","10.1021/ja002652t","","","0.71073","MoKα","","0.0694","0.0415","","0.101","0.0806","","","","1.15","1.074","1.074","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116743","13.095","0.004","9.663","0.002","11.2943","0.0014","90","","90","","90","","1429.1","0.6","178","2","178","2","","","","","","","selfmade","5","P n n m","-P 2 2n","58","borylene-fe","","","- C14 H15 B Fe O4 -","- C14 H15 B Fe O4 -","- C56 H60 B4 Fe4 O16 -","4","0.5","","Alan H. Cowley; Viviana Lomelí; Andreas Voigt","Synthesis and Characterization of a Terminal Borylene (Boranediyl) Complex","Journal of the American Chemical Society","1998","120","","6401","6402","10.1021/ja9806433","","","0.71073","MoKα","","0.0578","0.0465","","0.1244","0.117","","","","1.001","1.056","1.056","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4117303","13.5874","0.0003","6.739","0.0001","10.2833","0.0002","90","","90","","90","","941.6","0.03","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C12 H12 Ce2 O18 -","- C12 H12 Ce2 O18 -","- C24 H24 Ce4 O36 -","2","0.25","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71073","MoKα","","0.0198","0.0174","","","0.0429","0.0441","","","","","","1.115","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4118071","9.2671","0.0005","17.1198","0.0009","24.8416","0.0013","90","","90","","90","","3941.1","0.4","298","2","298","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C38 H30 N2 O16 P2 Zn2 -","- C36 H26 N4 O16 P2 Zn2 -","- C144 H104 N16 O64 P8 Zn8 -","4","0.5","","Yu-Chuan Chang; Sue-Lein Wang","From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate","Journal of the American Chemical Society","2012","134","","9848","9851","10.1021/ja302009h","","","0.71073","MoKα","","0.0792","0.0487","","","0.1261","0.1559","","","","","","1.077","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4119362","11.784","0.001","24.717","0.001","11.651","0.002","90","","90","","90","","3393.5","0.7","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Gd60 Ru9.84 Sn61.08 -","- Gd60 Ru9.84 Sn61.08 -","- Gd60 Ru9.84 Sn61.08 -","1","0.125","","Devin C. Schmitt; Neel Haldolaarachchige; Joseph Prestigiacomo; Amar Karki; David P. Young; Shane Stadler; Rongying Jin; Julia Y. Chan","Structural Complexity Meets Transport and Magnetic Anisotropy in Single Crystalline Ln30Ru4Sn31 (Ln = Gd, Dy)","Journal of the American Chemical Society","2013","135","","2748","2758","10.1021/ja311779t","","","0.71073","MoKα","","0.0395","0.0288","","","0.0605","0.0628","","","","","","1.287","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119363","11.696","0.001","24.505","0.001","11.578","0.002","90","","90","","90","","3318.4","0.7","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Ru12 Sn58.94 Tb60 -","- Ru12 Sn58.94 Tb60 -","- Ru12 Sn58.94 Tb60 -","1","0.125","","Devin C. Schmitt; Neel Haldolaarachchige; Joseph Prestigiacomo; Amar Karki; David P. Young; Shane Stadler; Rongying Jin; Julia Y. Chan","Structural Complexity Meets Transport and Magnetic Anisotropy in Single Crystalline Ln30Ru4Sn31 (Ln = Gd, Dy)","Journal of the American Chemical Society","2013","135","","2748","2758","10.1021/ja311779t","","","0.71073","MoKα","","0.0299","0.023","","","0.0436","0.0448","","","","","","1.29","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119364","11.659","0.001","24.457","0.001","11.564","0.002","90","","90","","90","","3297.4","0.7","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Dy60 Ru9.14 Sn61.43 -","- Dy60 Ru9.136 Sn61.432 -","- Dy60 Ru9.136 Sn61.432 -","1","0.125","","Devin C. Schmitt; Neel Haldolaarachchige; Joseph Prestigiacomo; Amar Karki; David P. Young; Shane Stadler; Rongying Jin; Julia Y. Chan","Structural Complexity Meets Transport and Magnetic Anisotropy in Single Crystalline Ln30Ru4Sn31 (Ln = Gd, Dy)","Journal of the American Chemical Society","2013","135","","2748","2758","10.1021/ja311779t","","","0.71073","MoKα","","0.0465","0.0291","","","0.0539","0.0577","","","","","","1.101","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4122851","23.5482","0.0016","23.548","","31.983","0.002","90","","90","","90","","17735","1.6","296","2","296","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C100 H52 In3 N4 O16 -","- C100 H52 In3 N4 O16 -","- C200 H104 In6 N8 O32 -","2","0.25","","Johnson, Jacob A.; Zhang, Xu; Reeson, Tyler C.; Chen, Yu-Sheng; Zhang, Jian","Facile Control of the Charge Density and Photocatalytic Activity of an Anionic Indium Porphyrin Framework via in Situ Metalation.","Journal of the American Chemical Society","2014","","","141028135635006","","10.1021/ja5092672","","","0.41329","Synchrotron","","0.1437","0.0958","","","0.279","0.3034","","","","","","0.952","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122852","23.881","0.002","23.915","0.002","28.808","0.002","90","","90","","90","","16453","2","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C100 H52 In3 N4 O16 -","- C100 H52 In3 N4 O16 -","- C200 H104 In6 N8 O32 -","2","0.25","","Johnson, Jacob A.; Zhang, Xu; Reeson, Tyler C.; Chen, Yu-Sheng; Zhang, Jian","Facile Control of the Charge Density and Photocatalytic Activity of an Anionic Indium Porphyrin Framework via in Situ Metalation.","Journal of the American Chemical Society","2014","","","141028135635006","","10.1021/ja5092672","","","0.4428","Synchrotron","","0.1738","0.099","","","0.2567","0.2858","","","","","","0.887","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4124631","4.26","","5.54","","3.44","","90","","90","","90","","81.185","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Na O2 -","- Na O2 -","- Na2 O4 -","2","0.25","","Carter, G.F.; Templeton, D.H.","Polymorphism of sodium superoxide","Journal of the American Chemical Society","1953","75","","5247","5249","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4127072","11.408","0.002","12.659","0.003","15.269","0.003","90","","90","","90","","2205.1","0.8","173.15","","173.15","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C19 H22 Co N4 Na O4 -","- C19 H22 Co N4 Na O4 -","- C76 H88 Co4 N16 Na4 O16 -","4","0.5","","Du, Hao-Yi; Chen, Si-Cong; Su, Xiao-Jun; Jiao, Lei; Zhang, Ming-Tian","Redox-Active Ligand Assisted Multielectron Catalysis: A Case of CoIII Complex as Water Oxidation Catalyst.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00032","","","0.71073","MoKα","","0.0452","0.0438","","","0.1177","0.1187","","","","","","1.18","","","","has coordinates,has disorder","205577","2020-10-21","18:00:00",""
"4127790","16.8628","0.0012","20.1743","0.0015","27.8022","0.0019","90","","90","","90","","9458.2","1.2","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C56 H32 As8 Ba8 O78 Pd13 -","- C56 H32 As8 Ba8 O78 Pd13 -","- C112 H64 As16 Ba16 O156 Pd26 -","2","0.25","","Bhattacharya, Saurav; Ayass, Wassim W.; Taffa, Dereje H.; Schneemann, Andreas; Semrau, A. Lisa; Wannapaiboon, Suttipong; Altmann, Philipp J.; Pöthig, Alexander; Nisar, Talha; Balster, Torsten; Burtch, Nicholas C.; Wagner, Veit; Fischer, Roland A.; Wark, Michael; Kortz, Ulrich","Discovery of Polyoxo-Noble-Metalate-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","8","3385","3389","10.1021/jacs.8b13397","","","0.71073","MoKα","","0.0756","0.0601","","","0.1685","0.1761","","","","","","1.087","","","","has coordinates,has disorder","220961","2020-10-21","18:00:00",""
"4128907","30.977","0.009","20.52","0.006","22.213","0.006","90","","90","","90","","14120","7","100","2","100.21","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C32 H16 N8 O16 Zr3 -","- C32 H16 N8 O16 Zr3 -","- C128 H64 N32 O64 Zr12 -","4","0.5","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.295","0.2062","","","0.5","0.5454","","","","","","1.947","","","","has coordinates","221943","2020-10-21","18:00:00",""
"4128908","31.4535","0.0018","19.638","0.0012","21.9912","0.0013","90","","90","","90","","13583.6","1.4","100","2","100.04","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C64 Cl22 N16 Ni14 O47 Zr6 -","- C64 Cl22 N16 Ni14 O47 Zr6 -","- C128 Cl44 N32 Ni28 O94 Zr12 -","2","0.25","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.1758","0.1463","","","0.4141","0.4454","","","","","","1.925","","","","has coordinates","221944","2020-10-21","18:00:00",""
"4128909","31.698","0.007","18.59","0.004","22.055","0.004","90","","90","","90","","12996","5","101","2","100.76","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C32 H16 Br5 N8 Ni3 O26 Zr3 -","- C32 H16 Br5 N8 Ni3 O26 Zr3 -","- C128 H64 Br20 N32 Ni12 O104 Zr12 -","4","0.5","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.2384","0.1587","","","0.3818","0.4241","","","","","","1.328","","","","has coordinates","221945","2020-10-21","18:00:00",""
"4128910","31.368","0.003","19.703","0.0016","22.4548","0.0019","90","","90","","90","","13878","2","100","2","99.99","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C32 H16 N8 O16 Zr3 -","- C32 H16 N8 O16 Zr3 -","- C128 H64 N32 O64 Zr12 -","4","0.5","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.1313","0.1077","","","0.2728","0.2952","","","","","","1.065","","","","has coordinates","221946","2020-10-21","18:00:00",""
"4130648","23.4939","0.0013","23.4954","0.0014","31.9724","0.0018","90","","90","","90","","17648.7","1.7","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","UNLPF_14","","","- C100 H52 In2 Mn N4 O17 -","- C100 H54.02 In2 Mn N4 O17 -","- C200 H108.04 In4 Mn2 N8 O34 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.1666","0.0832","","","0.2164","0.2593","","","","","","0.946","","","","has coordinates","241040","2020-10-21","18:00:00",""
"4130649","23.4897","0.0013","23.4895","0.0013","31.9645","0.0018","90","","90","","90","","17636.8","1.7","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","UNLPF_16","","","- C100 H52 Fe In2 N4 O17 -","- C100 H54.02 Fe In2 N4 O17 -","- C200 H108.04 Fe2 In4 N8 O34 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.1868","0.0963","","","0.2772","0.3282","","","","","","0.991","","","","has coordinates","241041","2020-10-21","18:00:00",""
"4130651","23.767","0.01","23.767","","29.459","0.012","90","","90","","90","","16641","10","100","2","100","2","","","","","","","","7","P n n m","-P 2 2n","58","UNLPF_13","","","- C100 H52 Cl In2 Mn N4 O16 -","- C100 H52 Cl In2 Mn N4 O16 -","- C200 H104 Cl2 In4 Mn2 N8 O32 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.47398","synchrotron","","0.1025","0.0579","","","0.1416","0.156","","","","","","0.894","","","","has coordinates","241043","2020-10-21","18:00:00",""
"4130653","23.412","0.006","23.428","0.006","32.108","0.009","90","","90","","90","","17611","8","296","2","296","2","","","","","","","","7","P n n m","-P 2 2n","58","UNLPF-15","","","- C100 H52 Cl Fe In2 N4 O16 -","- C100 H52 Cl Fe In2 N4 O16 -","- C200 H104 Cl2 Fe2 In4 N8 O32 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.47398","synchrotron","","0.1857","0.0803","","","0.2065","0.2552","","","","","","0.93","","","","has coordinates","241045","2020-10-21","18:00:00",""
"4133597","41.66","0.008","23.73","0.005","30.69","0.006","90","","90","","90","","30340","10","100","","100","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C282 H0 Cu24 N10 O150 -","- C282 Cu24 N10 O150 -","- C564 Cu48 N20 O300 -","2","0.25","","Lal, Garima; Derakhshandeh, Maziar; Akhtar, Farid; Spasyuk, Denis M.; Lin, Jian-Bin; Trifkovic, Milana; Shimizu, George K. H.","Mechanical Properties of a Metal-Organic Framework formed by Covalent Cross-Linking of Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","2","1045","1053","10.1021/jacs.8b11527","","","0.7781","synchrotron","","0.1233","0.0942","","","0.2735","0.2899","","","","","","2.115","","","","has coordinates,has disorder","243352","2020-10-21","18:00:00",""
"4301420","13.192","0.002","15.819","0.003","3.7333","0.0006","90","","90","","90","","779.1","0.2","293","","293","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cr Er3 S6 -","- Cr Er3 S6 -","- Cr4 Er12 S24 -","4","0.5","","Paz Vaqueiro; Iwona Szkoda; Rodolfo D. Sanchez; Anthony V. Powell","Ternary Erbium Chromium Sulfides: Structural Relationships and Magnetic Properties","Inorganic Chemistry","2009","48","","1284","1292","10.1021/ic801482a","","","0.71073","MoKα","","0.0246","0.0186","","0.0193","0.0188","0.0188","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302240","12.0495","0.0011","14.8817","0.0013","15.9221","0.0014","90","","90","","90","","2855.1","0.4","90","2","90","2","","","","","","","","6","P n n m","-P 2 2n","58","[Cu3Cl2(4-pt)4].4DMF.4MeOH","","","- C40 H60 Cl2 Cu3 N24 O8 -","- C24 H16 Cl2 Cu3 N20 -","- C48 H32 Cl4 Cu6 N40 -","2","0.25","","Wayne Ouellette; Hongxue Liu; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of Copper(II) Tetrazolates: Anion Control of Frameworks Constructed from Trinuclear Copper(II) Building Blocks","Inorganic Chemistry","2009","48","","4655","4657","10.1021/ic9003802","","x-ray","0.71073","MoKα","","0.1279","0.091","","","0.2044","0.2198","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4302554","18.6546","0.0007","19.5192","0.0006","14.867","0.0005","90","","90","","90","","5413.4","0.3","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- Cl4 Ir K10 O85 P2 W20 -","- Cl4 Ir K10 O85 P2 W20 -","- Cl8 Ir2 K20 O170 P4 W40 -","2","0.25","","Rui Cao; Huiyuan Ma; Yurii V. Geletii; Kenneth I. Hardcastle; Craig L. Hill","Structurally Characterized Iridium(III)-Containing Polytungstate and Catalytic Water Oxidation Activity","Inorganic Chemistry","2009","48","","5596","5598","10.1021/ic900538g","","","0.71073","MoKα","","0.1069","0.073","","","0.1648","0.1788","","","","","","1.187","","","","has coordinates","179063","2020-10-21","18:00:00",""
"4302770","13.596","0.002","14.676","0.002","17.16","0.002","90","","90","","90","","3424","0.8","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C15 H17 Co0.75 Fe N0.5 O7.5 -","- C13 H11 Co0.75 Fe N0.5 O6.5 -","- C104 H88 Co6 Fe8 N4 O52 -","8","1","","Sayon A. Kumalah; K. Travis Holman","Polymorphism and Inclusion Properties of Three-Dimensional Metal-Organometallic Frameworks Derived from a Terephthalate Sandwich Compound","Inorganic Chemistry","2009","48","","6860","6872","10.1021/ic900816h","","","0.71073","MoKα","","0.1237","0.0712","","","0.1883","0.2043","","","","","","1.003","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4302772","13.532","0.002","14.661","0.002","16.931","0.002","90","","90","","90","","3359","0.8","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C15 H17 Fe N0.5 Ni0.75 O7.5 -","- C15.5 H17 Fe N0.5 Ni0.75 O7.5 -","- C124 H136 Fe8 N4 Ni6 O60 -","8","1","","Sayon A. Kumalah; K. Travis Holman","Polymorphism and Inclusion Properties of Three-Dimensional Metal-Organometallic Frameworks Derived from a Terephthalate Sandwich Compound","Inorganic Chemistry","2009","48","","6860","6872","10.1021/ic900816h","","","0.71073","MoKα","","0.0635","0.0435","","","0.1139","0.122","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4303051","11.1429","0.0002","13.5151","0.0003","7.8868","0.0001","90","","90","","90","","1187.73","0.04","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- F Na O20 Rb6 Si4 U3 -","- F Na O20 Rb6 Si4 U3 -","- F2 Na2 O40 Rb12 Si8 U6 -","2","0.25","","Cheng-Shiuan Lee; Sue-Lein Wang; Yen-Hung Chen; Kwang-Hwa Lii","Flux Synthesis of Salt-Inclusion Uranyl Silicates: [K3Cs4F][(UO2)3(Si2O7)2] and [NaRb6F][(UO2)3(Si2O7)2]","Inorganic Chemistry","2009","48","","8357","8361","10.1021/ic901001n","","","0.71073","MoKα","","0.0186","0.0156","","","0.0318","0.0325","","","","","","1.036","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4304464","30.258","0.006","15.656","0.003","20.218","0.004","90","","90","","90","","9578","3","301","2","301","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C42 H44.25 Cl3 N8.75 O11.5 Ru -","- C42 H38 Cl3 N8.75 O11.5 Ru -","- C336 H304 Cl24 N70 O92 Ru8 -","8","1","","Mei-Jin Li; Zuofeng Chen; Nianyong Zhu; Vivian Wing-Wah Yam; Yanbing Zu","Electrochemiluminescence of Ruthenium(II) Complexes Functionalized with Crown Ether Pendants and Effects of Cation Binding","Inorganic Chemistry","2008","47","","1218","1223","10.1021/ic7019582","","","0.71073","MoKα","","0.1278","0.0655","","","0.1881","0.2073","","","","","","0.951","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304493","21.055","0.001","21.055","0.001","7.7241","0.0004","90","","90","","90","","3424.2","0.3","100","","100","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Ag23 Br Te12 -","- Ag23.021 Br Te12 -","- Ag92.084 Br4 Te48 -","4","0.5","","Stefan Lange; Melanie Bawohl; Tom Nilges","Crystal Structures and Thermal and Electrical Properties of the New Silver (poly)Chalcogenide Halides Ag23Te12Cl and Ag23Te12Br","Inorganic Chemistry","2008","47","","2625","2633","10.1021/ic701988u","","","0.71073","MoKα","","0.0957","0.0451","","","0.0501","0.0577","","","","2.07","2.07","1.66","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304494","21.074","0.0009","21.074","0.0009","7.7319","0.0004","90","","90","","90","","3433.8","0.3","150","","150","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Ag23 Br Te12 -","- Ag22.983 Br Te12 -","- Ag91.932 Br4 Te48 -","4","0.5","","Stefan Lange; Melanie Bawohl; Tom Nilges","Crystal Structures and Thermal and Electrical Properties of the New Silver (poly)Chalcogenide Halides Ag23Te12Cl and Ag23Te12Br","Inorganic Chemistry","2008","47","","2625","2633","10.1021/ic701988u","","","0.71073","MoKα","","0.0893","0.058","","","0.0699","0.0748","","","","3.59","3.59","3.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304495","21.1517","0.0015","21.1517","0.0015","7.7591","0.0006","90","","90","","90","","3471.4","0.4","293","","293","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Ag23 Br Te12 -","- Ag22.974 Br Te12 -","- Ag91.896 Br4 Te48 -","4","0.5","","Stefan Lange; Melanie Bawohl; Tom Nilges","Crystal Structures and Thermal and Electrical Properties of the New Silver (poly)Chalcogenide Halides Ag23Te12Cl and Ag23Te12Br","Inorganic Chemistry","2008","47","","2625","2633","10.1021/ic701988u","","","0.71073","MoKα","","0.1167","0.0404","","","0.0461","0.0565","","","","1.6","1.6","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304496","21.214","0.002","21.218","0.002","7.7086","0.0007","90","","90","","90","","3469.8","0.6","293","","293","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Ag23 Cl Te12 -","- Ag22.936 Cl Te12 -","- Ag91.744 Cl4 Te48 -","4","0.5","","Stefan Lange; Melanie Bawohl; Tom Nilges","Crystal Structures and Thermal and Electrical Properties of the New Silver (poly)Chalcogenide Halides Ag23Te12Cl and Ag23Te12Br","Inorganic Chemistry","2008","47","","2625","2633","10.1021/ic701988u","","","0.71073","MoKα","","0.1049","0.0204","","","0.0181","0.0307","","","","0.7","0.7","0.53","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304605","14.965","0.002","15.044","0.002","27.198","0.004","90","","90","","90","","6123.2","1.5","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C36 H57 Co2 I3 N8 O2 -","- C36 H57.1 Co2 I3 N8 O2 -","- C144 H228.4 Co8 I12 N32 O8 -","4","0.5","","Jia-Mei Chen; Xiao-Mei Zhuang; Li-Zi Yang; Long Jiang; Xiao-Long Feng; Tong-Bu Lu","Anion Recognition of Chloride and Bromide by a Rigid Dicobalt(II) Cryptate","Inorganic Chemistry","2008","47","","3158","3165","10.1021/ic702143d","","","0.71073","MoKα","","0.1416","0.0629","","","0.1709","0.2174","","","","","","1.066","","","","has coordinates,has disorder","179084","2020-10-21","18:00:00",""
"4304786","14.743","0.002","29.397","0.004","11.0978","0.0015","90","","90","","90","","4809.8","1.1","193","2","193","2","","","","","","","","9","P n n m","-P 2 2n","58","Fluoride Vanadium edge bridged double cubane","tetrakis(n-ethylammonium) bis(μ~4~-sulfido)-hexakis(μ~3~-sulfido)-tetrafluoro-bis(hydrotris(pyrazolyl) borato)-hexa-iron-di-vanadium acetonitrile solvate dihydrate","","- C66 H130 B2 F4 Fe6 N24 O3 S8 V2 -","- C33 H22 B F2 Fe3 N12 O2 S4 V -","- C132 H88 B4 F8 Fe12 N48 O8 S16 V4 -","4","0.5","","Thomas A. Scott; R. H. Holm","VFe3S4 Single and Double Cubane Clusters: Synthesis, Structures, and Dependence of Redox Potentials and Electron Distribution on Ligation and Heterometal","Inorganic Chemistry","2008","47","","3426","3432","10.1021/ic702372f","","","0.71073","MoKα","","0.0861","0.0608","","","0.1755","0.1934","","","","","","1.005","","","","has coordinates","179085","2020-10-21","18:00:00",""
"4305842","18.786","0.004","15.301","0.003","17.521","0.004","90","","90","","90","","5036.3","1.9","150","2","150","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C44 H61 Cl4 N3 O4 U -","- C44 H46 Cl4 N3 O4 U -","- C176 H184 Cl16 N12 O16 U4 -","4","0.5","","Trevor W. Hayton; Guang Wu","Mixed-Ligand Uranyl(V) β-Diketiminate/β-Diketonate Complexes: Synthesis and Characterization","Inorganic Chemistry","2008","47","","7415","7423","10.1021/ic800778j","","","0.71073","MoKα","","0.0745","0.0404","","","0.1087","0.1172","","","","","","0.972","","","","has coordinates,has disorder","179096","2020-10-21","18:00:00",""
"4305944","12.233","0.0013","14.5403","0.0016","15.9717","0.0016","90","","90","","90","","2840.9","0.5","273","2","273","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C44 H40 Cl4 Cu2 N14 O9 P4 -","- C43.728 H32 Cl4 Cu2 N14 O9.088 P4 -","- C87.456 H64 Cl8 Cu4 N28 O18.176 P8 -","2","0.25","","Eric W. Ainscough; Andrew M. Brodie; Ross J. Davidson; Boujemaa Moubaraki; Keith S. Murray; Carl A. Otter; Mark R. Waterland","Metal-Metal Communication in Copper(II) Complexes of Cyclotetraphosphazene Ligands","Inorganic Chemistry","2008","47","","9182","9192","10.1021/ic8008706","","","0.71073","MoKα","","0.0647","0.0469","","","0.131","0.1408","","","","","","1.122","","","","has coordinates,has disorder","179097","2020-10-21","18:00:00",""
"4307206","5.38062","0.00011","7.35553","0.00015","5.77509","0.00005","90","","90","","90","","228.563","0.007","293","","","","","","","","","","","2","P n n m","-P 2 2n","58","Gamma Aluminium Hydride","Alane","","- Al H3 -","- Al H3 -","- Al6 H18 -","6","0.75","","Volodymyr A. Yartys; Roman V. Denys; Jan Petter Maehlen; Christoph Frommen; Maximilian Fichtner; Boris M. Bulychev; Hermann Emerich","Double-Bridge Bonding of Aluminium and Hydrogen in the Crystal Structure of γ-AlH3","Inorganic Chemistry","2007","46","","1051","1055","10.1021/ic0617487","powder diffraction","","","","","","","","","","","","","1.44","","","","","","","has coordinates","179110","2020-10-21","18:00:00",""
"4309280","16.097","0.003","6.6992","0.0013","4.2712","0.0009","90","","90","","90","","460.59","0.16","90","2","90","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Eu3 In2 P4 -","- Eu3 In2 P4 -","- Eu6 In4 P8 -","2","0.25","","Jiong Jiang; Marilyn M. Olmstead; Susan M. Kauzlarich; Han-Oh Lee; Peter Klavins; Zachary Fisk","Negative Magnetoresistance in a Magnetic Semiconducting Zintl Phase: Eu3In2P4","Inorganic Chemistry","2005","44","","5322","5327","10.1021/ic0504036","","","0.71073","MoKα","","0.0159","0.0159","","","0.0418","0.0418","","","","","","2.179","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4310882","15.324","0.003","14.731","0.003","16.68","0.003","90","","90","","90","","3765.3","1.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C74 H110 Ca N8 Ti6 -","- C77 H94 Ca N8 Ti6 -","- C154 H188 Ca2 N16 Ti12 -","2","0.25","","Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Cube-Type Nitrido Complexes Containing Titanium and Alkali/Alkaline-Earth Metals","Inorganic Chemistry","2004","43","","2491","2498","10.1021/ic035493y","","x-ray","0.71073","MoKα","","0.2755","0.1052","","","0.2695","0.3532","","","","","","1.013","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310883","14.59","0.003","16.724","0.003","15.165","0.003","90","","90","","90","","3700.3","1.2","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C74 H110 N8 Sr Ti6 -","- C72 H101 N8 Sr Ti6 -","- C144 H202 N16 Sr2 Ti12 -","2","0.25","","Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Cube-Type Nitrido Complexes Containing Titanium and Alkali/Alkaline-Earth Metals","Inorganic Chemistry","2004","43","","2491","2498","10.1021/ic035493y","","x-ray","0.71073","MoKα","","0.1293","0.106","","","0.2522","0.2762","","","","","","1.103","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4311396","20.668","0.0015","15.268","0.0011","18.4691","0.0013","90","","90","","90","","5828.1","0.7","153","2","153","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C18 H68 N18 Ni2 O10 Re6 Te8 -","- C18 H48 N18 Ni2 Re6 Te8 -","- C72 H192 N72 Ni8 Re24 Te32 -","4","0.5","","Konstantin A. Brylev; Yuri V. Mironov; Nikolai G. Naumov; Vladimir E. Fedorov; James A. Ibers","New Compounds from Tellurocyanide Rhenium Cluster Anions and 3d-Transition Metal Cations Coordinated with Ethylenediamine","Inorganic Chemistry","2004","43","","4833","4838","10.1021/ic040046j","","","0.71073","MoKα","","0.0692","0.0443","","","0.1002","0.1061","","","","","","1.027","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4312924","7.9341","0.0004","11.55","0.0005","18.1157","0.0008","90","","90","","90","","1660.1","0.13","150","0.2","150","0.2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C15 H12 Ag F3 N4 O4 S -","- C15 H12 Ag F3 N4 O4 S -","- C60 H48 Ag4 F12 N16 O16 S4 -","4","0.5","","Yu-Bin Dong; Jian-Ping Ma; Ru-Qi Huang; Mark D. Smith; Hans-Conrad zur Loye","Synthesis and Characterization of New Coordination Polymers Generated from Oxadiazole-Containing Organic Ligands and Inorganic Silver(I) Salts","Inorganic Chemistry","2003","42","","294","300","10.1021/ic0204225","","","0.71073","MoKα","","0.0473","0.0426","","","0.0954","0.0978","","","","","","1.08","","","","has coordinates","179181","2020-10-21","18:00:00",""
"4313822","9.925","0.002","21.575","0.004","4.158","0.001","90","","90","","90","","890.4","0.3","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","nickel bismuth sulphidoiodide","nickel bismuth sulphidoiodide","","- Bi8 I2 Ni8 S -","- Bi8 I2 Ni8 S -","- Bi16 I4 Ni16 S2 -","2","0.25","","Alexey I. Baranov; Lars A. Kloo; Andrei V. Olenev; Boris A. Popovkin; Anatoli I. Romanenko","Quasi-1D Cations 1\ιnfty[Ni8Bi8S]n+ of Variable Charge: Infinite Columns 1\ιnfty[Ni8Bi8S]2+ in the Novel Compound Ni8Bi8SI2","Inorganic Chemistry","2003","42","","3988","3993","10.1021/ic0340332","","","0.5609","AgKα","","0.0817","0.0536","","","0.121","0.1375","","","","","","1.051","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4314042","9.4699","0.0005","14.9984","0.003","7.4313","0.0007","90","","90","","90","","1055.5","0.2","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H4 Co N8 O2 -","- C8 H4 Co N8 O2 -","- C32 H16 Co4 N32 O8 -","4","0.5","","Hao-Ling Sun; Song Gao; Bao-Qing Ma; Gang Su","Long-Range Ferromagnetic Ordering in Two-Dimensional Coordination Polymers Co[N(CN)2]2(L) [L = Pyrazine Dioxide (pzdo) and 2-Methyl Pyrazine Dioxide (mpdo)] with Dual μ- and μ3-[N(CN)2] Bridges","Inorganic Chemistry","2003","42","","5399","5404","10.1021/ic034202i","","","0.71073","MoKα","","0.0769","0.0392","","","0.0965","0.1063","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314114","19.156","0.002","9.0308","0.0009","14.497","0.0019","90","","90","","90","","2507.9","0.5","183","2","183","2","","","","","","","","6","P n n m","-P 2 2n","58","[HB(3,5-(CF3)2Pz)3]ZnEt","","","- C17 H9 B F18 N6 Zn -","- C17 H7 B F18 N6 Zn -","- C68 H28 B4 F72 N24 Zn4 -","4","0.5","","H. V. Rasika Dias; Wiechang Jin","Syntheses of Aluminum and Zinc Alkyl Complexes of a Highly Fluorinated Tris(pyrazolyl)borate Using [HB(3,5-(CF3)2Pz)3]Ag(THF) as the Ligand Transfer Agent","Inorganic Chemistry","2003","42","","5034","5036","10.1021/ic0345875","","","0.71073","MoKα","","0.0523","0.0414","","","0.1075","0.1147","","","","","","1.039","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4315306","26.5456","0.0007","8.0254","0.0002","11.9031","0.0004","90","","90","","90","","2535.83","0.13","100","2","100","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cs10 P8 Se20 -","- Cs10 P8 Se20 -","- Cs20 P16 Se40 -","2","0.25","","In Chung; Daniel Holmes; David P. Weliky; Mercouri G. Kanatzidis","[P3Se7]3-: A Phosphorus-Rich Square-Ring Selenophosphate","Inorganic Chemistry","2010","49","","3092","3094","10.1021/ic902561h","","","0.71073","MoKα","","0.0391","0.0339","","","0.0779","0.08","","","","","","1.159","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4316168","6.0005","0.0008","7.9432","0.0011","15.584","0.002","90","","90","","90","","742.78","0.17","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","K2(TTF-TC)H2","dipotassium(tetrathiafulvalenedicarboxylic)dicarboxylate orthorhomic polymorph","","- C10 H2 K2 O8 S4 -","- C10 H2 K2 O8 S4 -","- C20 H4 K4 O16 S8 -","2","0.25","","Thi Le Anh Nguyen; Rezan Demir-Cakan; Thomas Devic; Mathieu Morcrette; Tim Ahnfeldt; Pascale Auban-Senzier; Norbert Stock; Anne-Marie Goncalves; Yaroslav Filinchuk; Jean-Marie Tarascon; Gérard Férey","3-D Coordination Polymers Based on the Tetrathiafulvalenetetracarboxylate (TTF-TC) Derivative: Synthesis, Characterization, and Oxidation Issues","Inorganic Chemistry","2010","49","","7135","7143","10.1021/ic100950n","","","0.71073","MoKα","","0.0571","0.0473","","","0.1077","0.1116","","","","","","1.234","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316169","5.968","0.005","8.15","0.006","16.17","0.013","90","","90","","90","","786.5","1.1","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","?'Rb2(TTF-TC)H2'","dirubidium(tetrathiafulvalenedicarboxylic)dicarboxylate","","- C10 H2 O8 Rb2 S4 -","- C10 H2 O8 Rb2 S4 -","- C20 H4 O16 Rb4 S8 -","2","0.25","","Thi Le Anh Nguyen; Rezan Demir-Cakan; Thomas Devic; Mathieu Morcrette; Tim Ahnfeldt; Pascale Auban-Senzier; Norbert Stock; Anne-Marie Goncalves; Yaroslav Filinchuk; Jean-Marie Tarascon; Gérard Férey","3-D Coordination Polymers Based on the Tetrathiafulvalenetetracarboxylate (TTF-TC) Derivative: Synthesis, Characterization, and Oxidation Issues","Inorganic Chemistry","2010","49","","7135","7143","10.1021/ic100950n","","","0.71073","MoKα","","0.158","0.0657","","","0.1574","0.1996","","","","","","1.013","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316786","28.996","0.003","16.7033","0.0017","18.434","0.0019","90","","90","","90","","8928.1","1.6","85","2","85","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C79 H83 Mn4 N17 O26 Y2 -","- C75 H75.5 Mn4 N16 O24.88 Y2 -","- C300 H302 Mn16 N64 O99.52 Y8 -","4","0.5","","Thaddeus T. Boron; Jeff W. Kampf; Vincent L. Pecoraro","A Mixed 3d-4f 14-Metallacrown-5 Complex That Displays Slow Magnetic Relaxation through Geometric Control of Magnetoanisotropy","Inorganic Chemistry","2010","49","","9104","9106","10.1021/ic101121d","","","0.71073","MoKα","","0.0813","0.0633","","","0.1957","0.2118","","","","","","1.074","","","","has coordinates,has disorder","179247","2020-10-21","18:00:00",""
"4316787","29.179","0.002","16.7785","0.0014","18.5163","0.0015","90","","90","","90","","9065.2","1.2","150","2","150","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C79 H83 Mn4 N17 O26 Tb2 -","- C75 H76 Mn4 N16 O25 Tb2 -","- C300 H304 Mn16 N64 O100 Tb8 -","4","0.5","","Thaddeus T. Boron; Jeff W. Kampf; Vincent L. Pecoraro","A Mixed 3d-4f 14-Metallacrown-5 Complex That Displays Slow Magnetic Relaxation through Geometric Control of Magnetoanisotropy","Inorganic Chemistry","2010","49","","9104","9106","10.1021/ic101121d","","","0.7749","synchrotron","","0.0824","0.0624","","","0.1666","0.1803","","","","","","1.128","","","","has coordinates,has disorder","179247","2020-10-21","18:00:00",""
"4316788","29.125","0.004","16.76","0.003","18.514","0.003","90","","90","","90","","9037","3","150","2","150","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C79 H83 Dy2 Mn4 N17 O26 -","- C75 H76 Dy2 Mn4 N16 O25 -","- C300 H304 Dy8 Mn16 N64 O100 -","4","0.5","","Thaddeus T. Boron; Jeff W. Kampf; Vincent L. Pecoraro","A Mixed 3d-4f 14-Metallacrown-5 Complex That Displays Slow Magnetic Relaxation through Geometric Control of Magnetoanisotropy","Inorganic Chemistry","2010","49","","9104","9106","10.1021/ic101121d","","","0.7749","synchrotron","","0.0904","0.0519","","","0.1332","0.1538","","","","","","1.015","","","","has coordinates,has disorder","179247","2020-10-21","18:00:00",""
"4316789","29.001","0.0019","16.7165","0.0011","18.4233","0.0012","90","","90","","90","","8931.5","1","85","2","85","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C79 H83 Ho2 Mn4 N17 O26 -","- C75 H75.5 Ho2 Mn4 N16 O24.88 -","- C300 H302 Ho8 Mn16 N64 O99.52 -","4","0.5","","Thaddeus T. Boron; Jeff W. Kampf; Vincent L. Pecoraro","A Mixed 3d-4f 14-Metallacrown-5 Complex That Displays Slow Magnetic Relaxation through Geometric Control of Magnetoanisotropy","Inorganic Chemistry","2010","49","","9104","9106","10.1021/ic101121d","","","0.71073","MoKα","","0.0649","0.0526","","","0.1578","0.1674","","","","","","1.156","","","","has coordinates,has disorder","179247","2020-10-21","18:00:00",""
"4318267","16.948","0.001","11.274","0.002","12.141","0.001","90","","90","","90","","2319.8","0.5","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","[(L8py2)Fe(BF4)]BF4 (2)","","","- C18 H24 B2 F8 Fe N4 -","- C18 H24 B2 F8 Fe N4 -","- C72 H96 B8 F32 Fe4 N16 -","4","0.5","","Jason A. Halfen; Heather L. Moore; Derek C. Fox","Synthetic Models of the Reduced Active Site of Superoxide Reductase","Inorganic Chemistry","2002","41","","3935","3943","10.1021/ic025517l","","","0.71073","MoKα","","0.1018","0.0543","","","0.1442","0.1661","","","","","","1.03","","","","has coordinates,has disorder","179262","2020-10-21","18:00:00",""
"4319923","10.092","0.005","21.818","0.008","6.523","0.004","90","","90","","90","","1436.3","1.2","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H48 Ag2 N8 O12 -","- C18 H48 Ag2 N8 O12 -","- C36 H96 Ag4 N16 O24 -","2","0.25","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.0568","0.0446","","","0.1186","0.1264","","","","","","1.055","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4320273","12.539","0.003","17.01","0.003","21.027","0.004","90","","90","","90","","4484.8","1.6","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C36 H120 K7 O81 Ta7 -","- C36 H70 K6 O82.8 Ta7 -","- C72 H140 K12 O165.6 Ta14 -","2","0.25","","Bernd Morgenstern; Jürgen Sander; Volker Huch; Kaspar Hegetschweiler","Complexation of a Heptanuclear Polyoxotantalate Anion with K+: Formation of a Supramolecular [K6-(μ-OH2)6-(OH2)8]6+ Ring Structure","Inorganic Chemistry","2001","40","","5307","5310","10.1021/ic0010858","","","0.71073","MoKα","","0.0342","0.0286","","","0.0757","0.0778","","","","","","1.045","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00",""
"4320891","13.885","0.003","16.672","0.003","3.9215","0.0008","90","","90","","90","","907.8","0.3","153","2","153","2","","","","","","","","3","P n n m","-P 2 2n","58","triterbium chromium hexaselenide","","","- Cr Se6 Tb3 -","- Cr Se6 Tb3 -","- Cr4 Se24 Tb12 -","4","0.5","","Olivier Tougait; James A. Ibers","Ternary Rare-Earth Selenides with the U3ScS6 Structure Type: Synthesis, Characterization, and Some Magnetic Properties of Ln3TSe6 (Ln = Sm, Gd; T = In, Cr) and Tb3CrSe6","Inorganic Chemistry","2000","39","","1790","1794","10.1021/ic9914802","","","0.71073","MoKα","","0.0397","0.0326","","","0.0714","0.0737","","","","","","1.099","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4320892","14.177","0.003","17.352","0.004","4.0625","0.0008","90","","90","","90","","999.4","0.4","153","2","153","2","","","","","","","","3","P n n m","-P 2 2n","58","trisamarium indium hexaselenide","","","- In Se6 Sm3 -","- In Se6 Sm3 -","- In4 Se24 Sm12 -","4","0.5","","Olivier Tougait; James A. Ibers","Ternary Rare-Earth Selenides with the U3ScS6 Structure Type: Synthesis, Characterization, and Some Magnetic Properties of Ln3TSe6 (Ln = Sm, Gd; T = In, Cr) and Tb3CrSe6","Inorganic Chemistry","2000","39","","1790","1794","10.1021/ic9914802","","","0.71073","MoKα","","0.0299","0.0247","","","0.0604","0.0618","","","","","","1.024","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4320893","14.071","0.003","17.286","0.004","4.0202","0.0008","90","","90","","90","","977.8","0.4","153","2","153","2","","","","","","","","3","P n n m","-P 2 2n","58","trigadolinium indium hexaselenide","","","- Gd3 In Se6 -","- Gd3 In Se6 -","- Gd12 In4 Se24 -","4","0.5","","Olivier Tougait; James A. Ibers","Ternary Rare-Earth Selenides with the U3ScS6 Structure Type: Synthesis, Characterization, and Some Magnetic Properties of Ln3TSe6 (Ln = Sm, Gd; T = In, Cr) and Tb3CrSe6","Inorganic Chemistry","2000","39","","1790","1794","10.1021/ic9914802","","","0.71073","MoKα","","0.0273","0.0224","","","0.052","0.0533","","","","","","1.068","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4320894","14.032","0.003","16.782","0.003","3.9841","0.0008","90","","90","","90","","938.2","0.3","153","2","153","2","","","","","","","","3","P n n m","-P 2 2n","58","trisamarium chromium hexaselenide","","","- Cr Se6 Sm3 -","- Cr Se6 Sm3 -","- Cr4 Se24 Sm12 -","4","0.5","","Olivier Tougait; James A. Ibers","Ternary Rare-Earth Selenides with the U3ScS6 Structure Type: Synthesis, Characterization, and Some Magnetic Properties of Ln3TSe6 (Ln = Sm, Gd; T = In, Cr) and Tb3CrSe6","Inorganic Chemistry","2000","39","","1790","1794","10.1021/ic9914802","","","0.71073","MoKα","","0.0342","0.0285","","","0.0648","0.0662","","","","","","1.034","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4320895","13.938","0.003","16.78","0.003","3.9559","0.0008","90","","90","","90","","925.2","0.3","153","2","153","2","","","","","","","","3","P n n m","-P 2 2n","58","trigadolinium chromium hexaselenide","","","- Cr Gd3 Se6 -","- Cr Gd3 Se6 -","- Cr4 Gd12 Se24 -","4","0.5","","Olivier Tougait; James A. Ibers","Ternary Rare-Earth Selenides with the U3ScS6 Structure Type: Synthesis, Characterization, and Some Magnetic Properties of Ln3TSe6 (Ln = Sm, Gd; T = In, Cr) and Tb3CrSe6","Inorganic Chemistry","2000","39","","1790","1794","10.1021/ic9914802","","","0.71073","MoKα","","0.0374","0.0285","","","0.0583","0.0601","","","","","","1.092","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4321570","17.32","0.01","12.034","0.005","12.172","0.005","90","","90","","90","","2537","2","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C3 H5 F5 N2 O5.75 U2 -","- C3 H5 F5 N2 O5.75 U2 -","- C24 H40 F40 N16 O46 U16 -","8","1","","Catherine E. Talley; Amanda C. Bean; Thomas E. Albrecht-Schmitt","Hydrothermal Syntheses of Layered Uranium Oxyfluorides: Illustrations of Dimensional Reduction","Inorganic Chemistry","2000","39","","5174","5175","10.1021/ic000668e","","","0.71073","MoKα","","0.0872","0.0494","","0.1296","0.11","","","","1.053","1.129","1.129","","","","","has coordinates","179318","2020-10-21","18:00:00",""
"4321665","17.7079","0.0003","14.4213","0.0002","14.5978","0.0002","90","","90","","90","","3727.85","0.1","293","2","293","2","","","","","","","synthesis by authors","6","P n n m","-P 2 2n","58","","","","- C24 H36 I6 Mo2 O2 S3 -","- C24 H36 I6 Mo2 O2 S3 -","- C96 H144 I24 Mo8 O8 S12 -","4","0.5","","P. Schollhammer; F. Y. Pétillon; J. Talarmin; K. W. Muir; H. K. Fun; K. Chinnakali","Halogenation and Alkylation at a MoIII2(μ-S) Site. Crystal Structure of the Metal-Sulfenyl Halide Complex [Mo2(η5-C5Me5)2(μ-SMe)2(μ-SI)(CO)2]I5","Inorganic Chemistry","2000","39","","5879","5882","10.1021/ic000591u","","","0.71073","MoKα","","0.0831","0.052","","0.1378","0.1141","","","","1.062","1.097","1.097","","","","","has coordinates","179319","2020-10-21","18:00:00",""
"4323976","12.737","0.002","15.78","0.002","3.5809","0.0006","90","","90","","90","","719.72","0.19","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Fe0.6 Se2.4 Zr6 -","- Fe0.61 Se2.39 Zr6 -","- Fe2.44 Se9.56 Zr24 -","4","0.5","","Chwanchin Wang; Timothy Hughbanks","New Zr6MTe2 (M = Mn, Fe, Co, Ni, Ru, Pt), Zr6Fe0.6Se2.4, and Zr6Fe0.57S2.43 Intermetallics: Structural Links between Binary (Zr,Hf)3M Alloys and Porous Metal-Rich Tellurides","Inorganic Chemistry","1996","35","","6987","6994","10.1021/ic960610t","","","0.71073","MoKα","","0.0572","0.0377","","0.0782","0.0716","","","","1.086","1.143","1.143","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323977","12.519","0.004","15.436","0.002","3.4966","0.0006","90","","90","","90","","675.7","0.3","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Fe0.57 S2.43 Zr6 -","- Fe0.57 S2.43 Zr6 -","- Fe2.28 S9.72 Zr24 -","4","0.5","","Chwanchin Wang; Timothy Hughbanks","New Zr6MTe2 (M = Mn, Fe, Co, Ni, Ru, Pt), Zr6Fe0.6Se2.4, and Zr6Fe0.57S2.43 Intermetallics: Structural Links between Binary (Zr,Hf)3M Alloys and Porous Metal-Rich Tellurides","Inorganic Chemistry","1996","35","","6987","6994","10.1021/ic960610t","","","0.71073","MoKα","","0.1004","0.0523","","0.1236","0.1039","","","","1.075","1.139","1.139","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4324876","18.7282","0.0008","23.2474","0.0009","14.2788","0.0006","90","","90","","90","","6216.7","0.4","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C73 H63 O4 Os P4 Rh -","- C73 H63 O4 Os P4 Rh -","- C292 H252 O16 Os4 P16 Rh4 -","4","0.5","","Kyle D. Wells; Robert McDonald; Michael J. Ferguson; Martin Cowie","Unusual Ligand Transformations Initiated by dppm Deprotonation in Methylene-Bridged Rh/Os Complexes","Inorganic Chemistry","2011","50","","3523","3538","10.1021/ic102470j","","","0.71073","MoKα","","0.0383","0.0277","","","0.0654","0.072","","","","","","1.058","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4325279","16.557","0.005","17.905","0.005","14.13","0.004","90","","90","","90","","4189","2","298","2","298","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C48 H107 La N15 Ni6 O38.5 -","- C48 H96 La N14.9998 Ni6 O38.4994 -","- C96 H192 La2 N29.9996 Ni12 O76.9988 -","2","0.25","","Tereza Peristeraki; Marianna Samios; Milosz Siczek; Tadeusz Lis; Constantinos J. Milios","Artificial Amino Acids in Nickel(II) and Nickel(II)/Lanthanide(III) Chemistry","Inorganic Chemistry","2011","50","","5175","5185","10.1021/ic2004744","","","0.71073","MoKα","","0.0487","0.0424","","","0.1252","0.131","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325280","16.373","0.007","17.206","0.008","13.912","0.004","90","","90","","90","","3919","3","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C48 H107 N15 Ni6 O38.5 Pr -","- C48 H96 N15 Ni6 O38.5 Pr -","- C96 H192 N30 Ni12 O77 Pr2 -","2","0.25","","Tereza Peristeraki; Marianna Samios; Milosz Siczek; Tadeusz Lis; Constantinos J. Milios","Artificial Amino Acids in Nickel(II) and Nickel(II)/Lanthanide(III) Chemistry","Inorganic Chemistry","2011","50","","5175","5185","10.1021/ic2004744","","","0.71073","MoKα","","0.0494","0.0388","","","0.1008","0.103","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325700","14.7173","0.0013","15.433","0.005","16.701","0.005","90","","90","","90","","3793.3","1.7","200","2","200","2","","","","","","","synthesis as described","5","P n n m","-P 2 2n","58","","","","- C74 H109 N8 Ti6 Y -","- C60 H93 N8 Ti6 Y -","- C120 H186 N16 Ti12 Y2 -","2","0.25","","Jorge Caballo; María García-Castro; Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Molecular Nitrides with Titanium and Rare-Earth Metals","Inorganic Chemistry","2011","50","","6798","6808","10.1021/ic2008683","","x-ray","0.71073","MoKα","","0.1176","0.0959","","","0.2371","0.2512","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325702","14.6538","0.0013","15.439","0.004","16.711","0.004","90","","90","","90","","3780.7","1.4","200","2","200","2","","","","","","","synthesis as described","5","P n n m","-P 2 2n","58","","","","- C74 H109 Lu N8 Ti6 -","- C60 H93 Lu N8 Ti6 -","- C120 H186 Lu2 N16 Ti12 -","2","0.25","","Jorge Caballo; María García-Castro; Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Molecular Nitrides with Titanium and Rare-Earth Metals","Inorganic Chemistry","2011","50","","6798","6808","10.1021/ic2008683","","x-ray","0.71073","MoKα","","0.1127","0.0739","","","0.1934","0.2128","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325933","15.278","0.004","23.987","0.006","14.607","0.003","90","","90","","90","","5353","2","223","2","223","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C60 H122 Cl8 N42 Ni O56 Sm2 -","- C60 H60 Cl8 N42 Ni O44 Sm2 -","- C120 H120 Cl16 N84 Ni2 O88 Sm4 -","2","0.25","","Kai Chen; Li-Li Liang; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Novel Supramolecular Assemblies Based on Coordination of Samarium Cation to Cucurbit[5]uril","Inorganic Chemistry","2011","50","","7754","7760","10.1021/ic200902g","","","0.71073","MoKα","","0.0398","0.0356","","","0.1024","0.1049","","","","","","1.034","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4326971","18.6072","0.0017","7.8135","0.0007","17.3417","0.0016","90","","90","","90","","2521.3","0.4","298","2","298","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C48 H36 N4 O6 Ru S2 -","- C48 H36 N4 O6 Ru S2 -","- C96 H72 N8 O12 Ru2 S4 -","2","0.25","","Chuan-Hung Chuang; Chen-Kuo Ou; Shan-Tung Liu; Anil Kumar; Wei-Min Ching; Pei-Chun Chiang; Mira Anne C. dela Rosa; Chen-Hsiung Hung","Ruthenium Complexes of Thiaporphyrin and Dithiaporphyrin","Inorganic Chemistry","2011","50","","11947","11957","10.1021/ic200977n","","","0.71073","MoKα","","0.0709","0.0543","","","0.145","0.1557","","","","","","0.707","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4328279","15.1978","0.0019","21.57","0.002","27.257","0.003","90","","90","","90","","8935.3","1.7","223","2","223","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C84 H198 In18 Mn2 N28 O Te30 -","- C84 H136 In18 Mn2 N28 O Te30 -","- C168 H272 In36 Mn4 N56 O2 Te60 -","2","0.25","","Yu-Hong Wang; Wen Luo; Jian-Bing Jiang; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai","A Wheel-Shaped Indium-Telluride Nanocluster [In18Te30(dach)6]6-: Its Formation and Structure","Inorganic Chemistry","2012","51","","1219","1221","10.1021/ic202490q","","","0.71075","MoKα","","0.098","0.0785","","","0.1495","0.1583","","","","","","1.189","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4329802","9.8833","0.0007","7.1251","0.0003","5.0895","0.0003","90","","90","","90","","358.4","0.04","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- As Cd4 Cu7 -","- As Cd4 Cu7 -","- As2 Cd8 Cu14 -","2","0.25","","Oliver Osters; Tom Nilges; Michael Schöneich; Peer Schmidt; Jan Rothballer; Florian Pielnhofer; Richard Weihrich","Cd4Cu7As, The First Representative of a Fully Ordered, Orthorhombically Distorted MgCu2 Laves Phase","Inorganic Chemistry","2012","51","","8119","8127","10.1021/ic3005213","","x-ray","0.71073","MoKα","","0.0247","0.0175","","0.041","0.0377","","","","1.29","1.27","1.27","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330108","18.5263","0.0014","25.4164","0.0019","11.4747","0.0008","90","","90","","90","","5403.1","0.7","223","2","223","2","","","","","","","","6","P n n m","-P 2 2n","58","05150","","","- C44 H84 Co K N4 O9 -","- C40 H76 Co K N4 O8 -","- C160 H304 Co4 K4 N16 O32 -","4","0.5","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0637","0.0542","","","0.146","0.1523","","","","","","1.07","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4331481","27.0703","0.0017","8.9363","0.0005","18.428","0.0011","90","","90","","90","","4457.9","0.5","223","2","","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C52 H64 Au2 Cl4 I20 N8 -","- C52 H64 Au2 Cl4 I20 N8 -","- C104 H128 Au4 Cl8 I40 N16 -","2","0.25","","Castro-Castro, Laura M.; Guloy, Arnold M.","Layered Organic-Based Metal Iodide−Polyiodide with Unique Mixed-Valent Gold(I/III) Iodide Chains","Inorganic Chemistry","2004","43","15","4537","4539","10.1021/ic049766g","","","0.71073","MoKα","","","0.0466","","","","0.1171","","","","","","1.089","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331599","12.9634","0.0005","14.8613","0.0007","14.9188","0.0006","90","","90","","90","","2874.2","0.2","173","2","173","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Dy12 I16 O82 -","- Dy12 I16 O82 -","- Dy12 I16 O82 -","1","0.125","","Mudring, Anja-Verena; Timofte, Tudor; Babai, Arash","Cluster-Type Basic Lanthanide Iodides [M6(μ6-O)(μ3-OH)8(H2O)24]I8(H2O)8(M = Nd, Eu, Tb, Dy)","Inorganic Chemistry","2006","45","13","5162","5166","10.1021/ic051234s","","","0.71073","mokα","","0.0644","0.0389","","","0.0801","0.0866","","","","","","0.992","","","","has coordinates","210306","2020-10-21","18:00:00",""
"4331601","13.066","0.002","14.9815","0.0019","14.9941","0.0018","90","","90","","90","","2935.1","0.7","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Eu6 H72 I8 O41 -","- Eu6 I8 O41 -","- Eu12 I16 O82 -","2","0.25","","Mudring, Anja-Verena; Timofte, Tudor; Babai, Arash","Cluster-Type Basic Lanthanide Iodides [M6(μ6-O)(μ3-OH)8(H2O)24]I8(H2O)8(M = Nd, Eu, Tb, Dy)","Inorganic Chemistry","2006","45","13","5162","5166","10.1021/ic051234s","","","0.71073","MoKα","","0.106","0.054","","","0.086","0.0998","","","","","","0.91","","","","has coordinates","210306","2020-10-21","18:00:00",""
"4331603","13.104","0.003","15.021","0.003","15.149","0.003","90","","90","","90","","2981.9","1.1","173","2","173","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H72 I8 Nd6 O41 -","- I8 Nd6 O41 -","- I16 Nd12 O82 -","2","0.25","","Mudring, Anja-Verena; Timofte, Tudor; Babai, Arash","Cluster-Type Basic Lanthanide Iodides [M6(μ6-O)(μ3-OH)8(H2O)24]I8(H2O)8(M = Nd, Eu, Tb, Dy)","Inorganic Chemistry","2006","45","13","5162","5166","10.1021/ic051234s","","","0.71073","MoKα","","0.0447","0.034","","","0.0764","0.0794","","","","","","1.022","","","","has coordinates","210306","2020-10-21","18:00:00",""
"4331605","12.9634","0.0005","14.8613","0.0007","14.9188","0.0006","90","","90","","90","","2874.2","0.2","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H144 I16 O82 Tb12 -","- I16 O82 Tb12 -","- I16 O82 Tb12 -","1","0.125","","Mudring, Anja-Verena; Timofte, Tudor; Babai, Arash","Cluster-Type Basic Lanthanide Iodides [M6(μ6-O)(μ3-OH)8(H2O)24]I8(H2O)8(M = Nd, Eu, Tb, Dy)","Inorganic Chemistry","2006","45","13","5162","5166","10.1021/ic051234s","","","0.71073","mokα","","0.0571","0.0395","","","0.0924","0.0984","","","","","","1","","","","has coordinates","210306","2020-10-21","18:00:00",""
"4331876","14.678","0.009","29.261","0.019","11.092","0.007","90","","90","","90","","4764","5","173","2","173","2","","","","","","","","9","P n n m","-P 2 2n","58","EBDC-F4- TEA","","","- C64 H127 B2 F4 Fe6 Mo2 N23 O3 S8 -","- C64 H38 B2 F4 Fe6 Mo2 N23 O3 S8 -","- C128 H76 B4 F8 Fe12 Mo4 N46 O6 S16 -","2","0.25","","Berlinguette, Curtis P.; Miyaji, Taichi; Zhang, Yugen; Holm, R. H.","Precursors to Clusters with the Topology of the PNCluster of Nitrogenase: Edge-Bridged Double Cubane Clusters [(Tp)2Mo2Fe6S8L4]z: Synthesis, Structures, and Electron Transfer Series","Inorganic Chemistry","2006","45","5","1997","2007","10.1021/ic051770k","","","0.71073","MoKα","","0.1494","0.082","","","0.1729","0.2083","","","","","","1.036","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4335107","9.6082","0.0008","14.1709","0.0011","4.6719","0.0004","90","","90","","90","","636.11","0.09","273","2","273","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Au8 Sn3 Sr3 -","- Au8 Sn3 Sr3 -","- Au16 Sn6 Sr6 -","2","0.25","","Qisheng Lin; Jordan Vetter; John D. Corbett","Disorder-Order Structural Transformation in Electron-Poor Sr3Au8Sn3 Driven by Chemical Bonding Optimization","Inorganic Chemistry","2013","52","","6603","6609","10.1021/ic400626x","","","0.71073","MoKα","","0.0389","0.0361","","","0.0872","0.0891","","","","","","1.096","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335124","24.5282","0.0015","12.9676","0.0007","15.733","0.0009","90","","90","","90","","5004.2","0.5","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C40 H81 B16 Rh5 -","- C40 H81 B16 Rh5 -","- C160 H324 B64 Rh20 -","4","0.5","","Dipak Kumar Roy; Bijan Mondal; Pritam Shankhari; R. S. Anju; K. Geetharani; Shaikh M. Mobin; Sundargopal Ghosh","Supraicosahedral Polyhedra in Metallaboranes: Synthesis and Structural Characterization of 12-, 15-, and 16-Vertex Rhodaboranes","Inorganic Chemistry","2013","52","","6705","6712","10.1021/ic400761z","","","0.71073","MoKα","","0.0543","0.035","","","0.0744","0.0827","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335211","11.78396","0.00018","13.56871","0.00017","3.61331","0.00005","90","","90","","90","","577.743","0.014","298","3","298","3","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C12 H10 Cl2 N2 Ni -","- C12 Cl2 N2 Ni -","- C24 Cl4 N4 Ni2 -","2","0.25","","Miguel Cortijo; Santiago Herrero; Reyes Jiménez-Aparicio; Emilio Matesanz","Modulation of the Magnetic Properties of Two-Dimensional Compounds [NiX2(N-N)] by Tailoring Their Crystal Structure","Inorganic Chemistry","2013","52","","7087","7093","10.1021/ic400632c","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","4.6983","","","","","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4337366","8.033","0.0004","15.9214","0.0007","7.9958","0.0004","90","","90","","90","","1022.64","0.09","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C4 H12 F6 N Pa -","- C4 H12 F6 N Pa -","- C16 H48 F24 N4 Pa4 -","4","0.5","","De Sio, Stéphanie M; Wilson, Richard E.","Structural and spectroscopic studies of fluoroprotactinates.","Inorganic chemistry","2014","53","3","1750","1755","10.1021/ic402877a","","","0.71073","MoKα","","0.0473","0.0326","","","0.0817","0.0925","","","","","","1.225","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4338657","9.5598","0.0009","13.1311","0.0004","4.4214","0.0002","90","","90","","90","","555.02","0.06","273","2","273","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Au7.5 Ca3 Ge3.5 -","- Au7.502 Ca3 Ge3.498 -","- Au15.004 Ca6 Ge6.996 -","2","0.25","","Lin, Qisheng; Corbett, John D.","Centric and Non-centric Ca3Au∼7.5Ge\σim: Electron-Poor Derivatives of La3Al11. Syntheses, Structures, and Bonding Analyses","Inorganic Chemistry","2009","48","12","5403","5411","10.1021/ic900383d","","","0.71073","MoKα","","0.0312","0.0259","","","0.0647","0.0674","","","","","","1.073","","","","has coordinates","210061","2020-10-21","18:00:00",""
"4338658","9.4577","0.0008","13.2573","0.0007","4.441","0.0004","90","","90","","90","","556.83","0.07","273","2","273","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Au8.01 Ca3 Ge2.99 -","- Au8.012 Ca3 Ge2.988 -","- Au16.024 Ca6 Ge5.976 -","2","0.25","","Lin, Qisheng; Corbett, John D.","Centric and Non-centric Ca3Au∼7.5Ge\σim: Electron-Poor Derivatives of La3Al11. Syntheses, Structures, and Bonding Analyses","Inorganic Chemistry","2009","48","12","5403","5411","10.1021/ic900383d","","","0.71073","MoKα","","0.0462","0.0343","","","0.0859","0.0908","","","","","","1.122","","","","has coordinates","210061","2020-10-21","18:00:00",""
"4338937","14.6195","0.001","17.5736","0.0012","4.1542","0.0003","90","","90","","90","","1067.29","0.13","193","2","193","2","","","","","","","","3","P n n m","-P 2 2n","58","lanthanum lutetium selenide","","","- La3 Lu Se6 -","- La3 Lu Se6 -","- La12 Lu4 Se24 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E","Syntheses, structures, magnetism, and optical properties of lutetium-based interlanthanide selenides.","Inorganic chemistry","2007","46","22","9213","9220","10.1021/ic701012j","","","0.71073","MoKα","","0.03","0.0273","","","0.0636","0.0645","","","","","","1.082","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4338938","14.502","0.0009","17.4954","0.0011","4.1129","0.0003","90","","90","","90","","1043.52","0.12","193","2","193","2","","","","","","","","3","P n n m","-P 2 2n","58","cerium lutetium selenide","","","- Ce3 Lu Se6 -","- Ce3 Lu Se6 -","- Ce12 Lu4 Se24 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E","Syntheses, structures, magnetism, and optical properties of lutetium-based interlanthanide selenides.","Inorganic chemistry","2007","46","22","9213","9220","10.1021/ic701012j","","","0.71073","MoKα","","0.0234","0.0212","","","0.0477","0.0485","","","","","","1.086","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4338949","16.733","0.002","17.51","0.002","13.1904","0.0018","90","","90","","90","","3864.7","0.8","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","tetrakis(m\-oxo)tetrakis(m\-acetato)tetrakis(4-methylpyridine) tetracobalt(III) 3H~2~O","","- C32 H34 Co4 N4 O15 -","- C32 H34 Co4 N4 O15 -","- C128 H136 Co16 N16 O60 -","4","0.5","","Chakrabarty, Rajesh; Bora, Sanchay J.; Das, Birinchi K.","Synthesis, structure, spectral and electrochemical properties, and catalytic use of cobalt(III)-oxo cubane clusters.","Inorganic chemistry","2007","46","22","9450","9462","10.1021/ic7011759","","","0.71073","MoKα","","0.1548","0.0824","","","0.1986","0.2504","","","","","","1.069","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4339278","15.74","0.0006","4.8958","0.0002","5.9311","0.0002","90","","90","","90","","457.05","0.03","273","2","273","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C H4 Mn N O3 S -","- C H4 Mn N O3 S -","- C4 H16 Mn4 N4 O12 S4 -","4","0.5","","Austria, Cristina; Zhang, Jian; Valle, Henry; Zhang, Qichun; Chew, Emily; Nguyen, Dan-Tam; Gu, J. Y.; Feng, Pingyun; Bu, Xianhui","Amine-controlled assembly of metal-sulfite architecture from 1D chains to 3D framework.","Inorganic chemistry","2007","46","16","6283","6290","10.1021/ic070325h","","","0.71073","MoKα","","0.0201","0.0178","","","0.0507","0.0515","","","","","","1.193","","","","has coordinates","179495","2020-10-21","18:00:00",""
"4339591","8.0513","0.0009","8.3775","0.001","5.8799","0.0007","90","","90","","90","","396.6","0.08","200","2","200","2","","","","","","","","4","P n n m","-P 2 2n","58","libethenite (mineralogical)","copper(II) hydroxyphosphate","","- Cu2 H O5 P -","- Cu2 H O5 P -","- Cu8 H4 O20 P4 -","4","0.5","","Belik, Alexei A.; Koo, Hyun-Joo; Whangbo, Myung-Hwan; Tsujii, Naohito; Naumov, Pance; Takayama-Muromachi, Eiji","Magnetic properties of synthetic libethenite Cu2PO4OH: a new spin-gap system.","Inorganic chemistry","2007","46","21","8684","8689","10.1021/ic7008418","","","0.71073","MoKα","","0.0397","0.0381","","","0.1011","0.1018","","","","","","1.364","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340965","5.0843","0.001","5.8737","0.0012","2.9041","0.0006","90","","90","","90","","86.73","0.03","120","2","120","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Os P2 -","- Os P2 -","- Os2 P4 -","2","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Shoemaker, Daniel P.; Do, Dat T.; Chung, Duck Young; Mahanti, Subhendra D.; Kanatzidis, Mercouri G.","Crystal growth and characterization of the narrow-band-gap semiconductors OsPn₂ (Pn = P, As, Sb).","Inorganic chemistry","2014","53","18","9959","9968","10.1021/ic501733z","","","0.71073","MoKα","","0.0193","0.0187","","","0.0424","0.0427","","","","","","1.528","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340966","5.4059","0.0011","6.1746","0.0012","2.9941","0.0006","90","","90","","90","","99.94","0.03","298","2","298","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- As2 Os -","- As2 Os -","- As4 Os2 -","2","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Shoemaker, Daniel P.; Do, Dat T.; Chung, Duck Young; Mahanti, Subhendra D.; Kanatzidis, Mercouri G.","Crystal growth and characterization of the narrow-band-gap semiconductors OsPn₂ (Pn = P, As, Sb).","Inorganic chemistry","2014","53","18","9959","9968","10.1021/ic501733z","","","0.71073","MoKα","","0.0288","0.0285","","","0.0671","0.0673","","","","","","1.272","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340967","5.9381","0.0012","6.6961","0.0013","3.2044","0.0006","90","","90","","90","","127.41","0.04","298","2","298","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Os Sb2 -","- Os Sb2 -","- Os2 Sb4 -","2","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Shoemaker, Daniel P.; Do, Dat T.; Chung, Duck Young; Mahanti, Subhendra D.; Kanatzidis, Mercouri G.","Crystal growth and characterization of the narrow-band-gap semiconductors OsPn₂ (Pn = P, As, Sb).","Inorganic chemistry","2014","53","18","9959","9968","10.1021/ic501733z","","","0.71073","MoKα","","0.0371","0.0371","","","0.0895","0.0895","","","","","","1.19","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4341495","16.3312","0.0012","22.4553","0.0014","12.414","0.0007","90","","90","","90","","4552.5","0.5","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","Poly[bis-[1,3-di(1,2,4-triazol-4-yl)adamantane]-mu4-oxido- tetracopper(II) tris-molybdate(VI)], 7.5 hydrate","","- C28 H51 Cu4 Mo3 N12 O20.5 -","- C28 H36 Cu4 Mo3 N12 O20.5 -","- C112 H144 Cu16 Mo12 N48 O82 -","4","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Babaryk, Artem A.; Rusanov, Eduard B.; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Domasevitch, Konstantin V.","Triazolyl-based copper-molybdate hybrids: from composition space diagram to magnetism and catalytic performance.","Inorganic chemistry","2014","53","19","10112","10121","10.1021/ic5009736","","","0.71073","MoKα","","0.1538","0.0651","","","0.1259","0.1551","","","","","","1.048","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4342090","27.474","0.005","27.701","0.005","10.377","0.002","90","","90","","90","","7897","3","223","2","223","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C39 H26 N O15 Zn4 -","- C39 H26 N O15 Zn4 -","- C156 H104 N4 O60 Zn16 -","4","0.5","","Duan, Jingui; Higuchi, Masakazu; Kitagawa, Susumu","Predesign and systematic synthesis of 11 highly porous coordination polymers with unprecedented topology.","Inorganic chemistry","2015","54","4","1645","1649","10.1021/ic502643m","","","0.71073","MoKα","","0.1217","0.1105","","","0.3408","0.3578","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4343664","23.057","","15.04","","8.761","","90","","90","","90","","3038.12","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","(Bi9)4 (Bi Cl5)8 (Bi2 Cl8)2","","- Bi48 Cl56 -","- Bi48 Cl56 -","- Bi48 Cl56 -","1","0.125","","Hershaft, Alex; Corbett, John D.","The Crystal Structure of Bismuth Subchloride. Identification of the Ion Bi~9~^5+^","Inorganic Chemistry","1963","2","5","979","985","10.1021/ic50009a025","","","","","","","","","","","","","","","","","","","","","has coordinates","210058","2020-10-21","18:00:00",""
"4344517","17.367","","8.735","","6.951","","90","","90","","90","","1054.47","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","((N H3)5 Co)2 O2 (N O3)2 Cl3 (H2 O)2","","- Cl3 Co2 H34 N12 O10 -","- Cl3 Co2 H34 N12 O10 -","- Cl6 Co4 H68 N24 O20 -","2","0.25","","Miskowski, V.M.; Santarsiero, B.D.; Schaefer, W.P.; Gray, H.B.; Ansok, G.E.","Crystal Structure and Polarized Electronic Spectra of a (mue-Superoxo)dicobalt(III) Complex: (((N H3)5 Co)2 O2) (N O3)2 Cl3 (H2 O)2","Inorganic Chemistry","1984","23","","172","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344876","8.257","0.003","21.694","0.008","3.7543","0.0017","90","","90","","90","","672.5","0.5","220","2","220","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C12 H8 Cu2 N4 S2 -","- C12 H8 Cu2 N4 S2 -","- C24 H16 Cu4 N8 S4 -","2","0.25","","Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Crew, Marcello; Hanton, Lyall R.; Hubberstey, Peter; Parsons, Simon; Schröder, Martin","Two- and three-dimensional CuSCN co-ordination networks including new CuSCN structural motifs","Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999)","1999","","16","2813","2817","10.1039/a903218e","","","0.71073","MoKα","","0.0719","0.0391","","","0.0703","0.0788","","","","","","1.047","","","","has coordinates,has disorder","180576","2020-10-21","18:00:00",""
"4345017","17.9947","0.0009","8.4463","0.0004","15.7807","0.0008","90","","90","","90","","2398.5","0.2","200","2","200","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C22 H28 Cl2 N2 O2.5 Rh -","- C22 H28 Cl2 N2 O2.5 Rh -","- C88 H112 Cl8 N8 O10 Rh4 -","4","0.5","","Ganesan, Vinothkumar; Sivanesan, Dharmalingam; Yoon, Sungho","Correlation between the Structure and Catalytic Activity of [Cp*Rh(Substituted Bipyridine)] Complexes for NADH Regeneration.","Inorganic chemistry","2017","56","3","1366","1374","10.1021/acs.inorgchem.6b02474","","","0.71073","MoKα","","0.065","0.0505","","","0.1424","0.1775","","","","","","1.162","","","","has coordinates","193436","2020-10-21","18:00:00",""
"4346622","12.1802","0.0004","12.7467","0.0004","10.0066","0.0002","90","","90","","90","","1553.6","0.08","296","2","296","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- H30 Na6 Nb5 O34 Te -","- Na6 Nb5 O33.2 Te -","- Na12 Nb10 O66.4 Te2 -","2","0.25","","Abramov, Pavel A.; Zemerova, Tatiana P.; Moroz, Nikolay K.; Kompankov, Nikolay B.; Zhdanov, Artem A.; Tsygankova, Alfiya R.; Vicent, Cristian; Sokolov, Maxim N.","Synthesis and Characterization of [(OH)TeNb5O18](6-) in Water Solution, Comparison with [Nb6O19](8-).","Inorganic chemistry","2016","55","4","1381","1389","10.1021/acs.inorgchem.5b01806","","","0.71073","MoKα","","0.0367","0.0331","","","0.0921","0.0942","","","","","","1.137","","","","has coordinates","231888","2020-10-21","18:00:00",""
"4347850","11.5807","0.0002","14.243","0.0003","27.0122","0.0005","90","","90","","90","","4455.5","0.15","180","2","180","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C37.5 H29.5 Er F9 N7.5 O9 S3 -","- C33 H22 Er F9 N6 O9 S3 -","- C132 H88 Er4 F36 N24 O36 S12 -","4","0.5","","Suffren, Yan; Golesorkhi, Bahman; Zare, Davood; Guénée, Laure; Nozary, Homayoun; Eliseeva, Svetlana V.; Petoud, Stéphane; Hauser, Andreas; Piguet, Claude","Taming Lanthanide-Centered Upconversion at the Molecular Level.","Inorganic chemistry","2016","55","20","9964","9972","10.1021/acs.inorgchem.6b00700","","x-ray","1.54184","CuKα","","0.043","0.0378","","","0.0981","0.1027","","","","","","1.037","","","","has coordinates","232539","2020-10-21","18:00:00",""
"4348491","5.7412","0.0003","14.4322","0.0006","15.7094","0.0007","90","","90","","90","","1301.65","0.1","100","","100","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H8 N2 O9.5 U -","- C8 H8 N2 O9.5 U -","- C32 H32 N8 O38 U4 -","4","0.5","","Martin, Nicolas P.; Falaise, Clément; Volkringer, Christophe; Henry, Natacha; Farger, Pierre; Falk, Camille; Delahaye, Emilie; Rabu, Pierre; Loiseau, Thierry","Hydrothermal Crystallization of Uranyl Coordination Polymers Involving an Imidazolium Dicarboxylate Ligand: Effect of pH on the Nuclearity of Uranyl-Centered Subunits.","Inorganic chemistry","2016","55","17","8697","8705","10.1021/acs.inorgchem.6b01232","","x-ray","0.71073","MoKα","","0.0551","0.0364","","","0.0911","0.1027","","","","","","1.044","","","","has coordinates,has disorder","233003","2020-10-21","18:00:00",""
"4349534","11.6184","0.0007","15.9574","0.001","15.0119","0.0011","90","","90","","90","","2783.2","0.3","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C36 H36 I2 N24 Na2 O20 -","- C36 H36 I2 N24 Na2 O20 -","- C72 H72 I4 N48 Na4 O40 -","2","0.25","","Lin, Jing-Xiang; Liang, Jun; Feng, Ji-Fei; Karadeniz, Bahar; Lü, Jian; Cao, Rong","Iodine uptake and enhanced electrical conductivity in a porous coordination polymer based on cucurbit[6]uril","Inorganic Chemistry Frontiers","2016","3","11","1393","","10.1039/C6QI00305B","","","1.54184","CuKα","","0.0801","0.0665","","","0.2055","0.2235","","","","","","1.072","","","","has coordinates","234861","2020-10-21","18:00:00",""
"4349744","12.102","0.002","12.703","0.003","10.068","0.002","90","","90","","90","","1547.8","0.5","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H36 K6 Nb6 O36 -","- K6 Nb6 O36 -","- K12 Nb12 O72 -","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","","0.0561","0.0544","","","0.1808","0.1818","","","","","","1.055","","","","has coordinates","235786","2020-10-21","18:00:00",""
"4349798","12.136","0.0016","8.2328","0.0011","10.9375","0.0015","90","","90","","90","","1092.8","0.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C9 H4 Cd N O7 -","- C9 H4 Cd N O7 -","- C36 H16 Cd4 N4 O28 -","4","0.5","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0318","0.0257","","","0.064","0.065","","","","","","2.447","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349950","11.5016","0.0003","17.0121","0.0004","14.707","0.0004","90","","90","","90","","2877.67","0.13","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C6 H7 N7 O6 Zn2 -","- C6 H7 N7 O6 Zn2 -","- C48 H56 N56 O48 Zn16 -","8","1","","Li, Yixing; Zhang, Xiao; Xu, Ping; Jiang, Zimin; Sun, Jianmin","The design of a novel and resistant Zn(PZDC)(ATZ) MOF catalyst for the chemical fixation of CO2 under solvent-free conditions","Inorganic Chemistry Frontiers","2019","6","1","317","","10.1039/C8QI01150H","","x-ray","1.54184","CuKα","","0.0421","0.0369","","","0.0977","0.1009","","","","","","1.071","","","","has coordinates","236972","2020-10-21","18:00:00",""
"4350569","8.9924","0.0007","20.655","0.0014","26.1776","0.0019","90","","90","","90","","4862.2","0.6","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C26 H16 Cl2 Cu N4 O5 -","- C26 H16 Cl2 Cu N4 O5 -","- C208 H128 Cl16 Cu8 N32 O40 -","8","1","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.121","0.092","","","0.2272","0.2459","","","","","","1.084","","","","has coordinates","239945","2020-10-21","18:00:00",""
"4500813","15.1432","0.0017","8.9454","0.001","8.973","0.001","90","","90","","90","","1215.5","0.2","100","","100","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C5 H15 Ga N2 O8 P2 -","- C5 H15 Ga N2 O8 P2 -","- C20 H60 Ga4 N8 O32 P8 -","4","0.5","","Olshansky, Jacob H.; Blau, Samuel M.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding an Order‒Disorder Phase Transition in Ionothermally Synthesized Gallium Phosphates","Crystal Growth & Design","2011","11","7","3065","","10.1021/cg200332y","","","0.71073","MoKα","","0.081","0.0574","","0.1124","0.1014","0.0933","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500851","11.211","0.003","12.244","0.003","8.541","0.002","90","","90","","90","","1172.4","0.5","298","2","298","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C17 H27 Cu4 N11 -","- C17 H25 Cu4 N11 -","- C34 H50 Cu8 N22 -","2","0.25","","Qin, Ying-Lian; Hou, Juan-Juan; Lv, Jin; Zhang, Xian-Ming","Organic Templated Cuprous Cyanide Open Frameworks Based on Cu2(CN)6Dimer with Strong and Long-Lived Luminescence","Crystal Growth & Design","2011","11","7","3101","","10.1021/cg200362c","","","0.71073","MoKα","","0.0529","0.0481","","","0.1109","0.1137","","","","","","1.174","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500852","11.361","0.007","12.393","0.008","8.44","0.006","90","","90","","90","","1188.3","1.4","298","2","298","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C19 H32 Cu4 N11 -","- C19 H30 Cu4 N11 -","- C38 H60 Cu8 N22 -","2","0.25","","Qin, Ying-Lian; Hou, Juan-Juan; Lv, Jin; Zhang, Xian-Ming","Organic Templated Cuprous Cyanide Open Frameworks Based on Cu2(CN)6Dimer with Strong and Long-Lived Luminescence","Crystal Growth & Design","2011","11","7","3101","","10.1021/cg200362c","","","0.71073","MoKα","","0.0445","0.0345","","","0.1038","0.1216","","","","","","1.266","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500857","21.209","0.002","22.825","0.002","18.1999","0.0018","90","","90","","90","","8810.5","1.4","291","2","291","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C126 H120 F0 N2 O71 Zn14 -","- C126 H120 N2 O71 Zn14 -","- C252 H240 N4 O142 Zn28 -","2","0.25","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Three New Coordination Polymers Based on One Reduced Symmetry Tripodal Linker","Crystal Growth & Design","2011","11","7","3115","","10.1021/cg2003673","","","0.71073","MoKα","","0.0835","0.0544","","","0.1123","0.1187","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500926","12.864","0.003","14.555","0.003","11.752","0.002","90","","90","","90","","2200.4","0.8","173","2","173","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C22 H20 Ag N10 O2 -","- C22 H20 Ag N10 O2 -","- C88 H80 Ag4 N40 O8 -","4","0.5","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.1057","0.0841","","","0.2323","0.2595","","","","","","1.161","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4501694","30.869","0.0015","13.7091","0.0006","14.6688","0.0007","90","","90","","90","","6207.6","0.5","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C28 H66 Cu4 N12 Nb6 O28 -","- C28 H48 Cu4 N12 Nb6 O28 -","- C112 H192 Cu16 N48 Nb24 O112 -","4","0.5","","Niu, Jingyang; Fu, Xiao; Zhao, Junwei; Li, Suzhi; Ma, Pengtao; Wang, Jingping","Two-Dimensional Polyoxoniobates Constructed from Lindqvist-Type Hexaniobates Functionalized by Mixed Ligands","Crystal Growth & Design","2010","10","7","3110","","10.1021/cg100236c","","","0.71073","MoKα","","0.0526","0.0465","","","0.131","0.1343","","","","","","1.086","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501695","31.9429","0.0018","13.6686","0.0008","14.6214","0.0008","90","","90","","90","","6383.9","0.6","273","2","273","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C32 H57 Cu4 N12 Nb6 O30 -","- C32 H16 Cu4 N12 Nb6 O30 -","- C128 H64 Cu16 N48 Nb24 O120 -","4","0.5","","Niu, Jingyang; Fu, Xiao; Zhao, Junwei; Li, Suzhi; Ma, Pengtao; Wang, Jingping","Two-Dimensional Polyoxoniobates Constructed from Lindqvist-Type Hexaniobates Functionalized by Mixed Ligands","Crystal Growth & Design","2010","10","7","3110","","10.1021/cg100236c","","","0.71073","MoKα","","0.1004","0.0834","","","0.1987","0.2058","","","","","","1.094","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501813","9.1908","0.0011","15.82","0.002","8.8764","0.0007","90","","90","","90","","1290.6","0.2","150","2","150","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C12 H30 Eu2 O24 -","- C12 H22 Eu2 O24 -","- C24 H44 Eu4 O48 -","2","0.25","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Europium−Organic Assemblies with theall-cisandall-transIsomers of 1,2,3,4,5,6-Cyclohexanehexacarboxylic Acid","Crystal Growth & Design","2010","10","8","3626","","10.1021/cg100500p","","","0.71073","MoKα","","0.062","0.0518","","","0.1072","0.1105","","","","","","1.262","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4503015","13.198","0.002","14.852","0.002","23.407","0.004","90","","90","","90","","4588.2","1.2","293","","293","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C15 H3 N2 O35 U6 -","- C15 H3 N2 O35 U6 -","- C60 H12 N8 O140 U24 -","4","0.5","","Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry","Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems","Crystal Growth & Design","2012","12","1","526","","10.1021/cg201509v","","","0.71069","MoKα","","0.0634","0.0444","","","0.0733","0.0747","","","","","","2.94","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4504747","20.195","0.002","15.8339","0.0018","16.2758","0.0019","90","","90","","90","","5204.4","1","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","Cd9L4(HL)4(bpy)4(H2bpy)(H2O)8","","","- C90 H70 Cd9 N26 O40 -","- C90 H54 Cd9 N26 O40 -","- C180 H108 Cd18 N52 O80 -","2","0.25","","Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Three 3D Coordination Polymers Constructed by Cd(II) and Zn(II) with Imidazole-4,5-Dicarboxylate and 4,4‘-Bipyridyl Building Blocks","Crystal Growth & Design","2006","6","2","564","","10.1021/cg0505158","","","0.71073","MoKα","","0.0836","0.052","","","0.1363","0.1571","","","","","","1.034","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4506081","17.647","0.002","5.2995","0.0007","13.968","0.0018","90","","90","","90","","1306.3","0.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C13 H11 N4 O4 Zn -","- C13 H9 N4 O4 Zn -","- C52 H36 N16 O16 Zn4 -","4","0.5","","Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands","Crystal Growth & Design","2012","12","5","2634","","10.1021/cg300220q","","","0.71073","MoKα","","0.045","0.0385","","","0.1128","0.1155","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506187","32.308","0.006","12.271","0.002","20.7","0.004","90","","90","","90","","8207","3","173","2","173","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C84 H100 Dy4 O36 S8 -","- C84 H100 Dy4 O36 S8 -","- C168 H200 Dy8 O72 S16 -","2","0.25","","Liu, Cai-Ming; Zhang, De-Qing; Hao, Xiang; Zhu, Dao-Ben","Syntheses, Crystal Structures, and Magnetic Properties of Twop-tert-Butylsulfonylcalix[4]arene Supported Cluster Complexes with a Totally Disordered Ln4(OH)4Cubane Core","Crystal Growth & Design","2012","12","6","2948","","10.1021/cg300173t","","","0.71073","MoKα","","0.0823","0.0658","","","0.1811","0.1899","","","","","","1.011","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506188","32.268","0.006","12.356","0.002","20.79","0.004","90","","90","","90","","8289","3","173","2","173","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C84 H100 Ho4 O36 S8 -","- C84 H100 Ho4 O36 S8 -","- C168 H200 Ho8 O72 S16 -","2","0.25","","Liu, Cai-Ming; Zhang, De-Qing; Hao, Xiang; Zhu, Dao-Ben","Syntheses, Crystal Structures, and Magnetic Properties of Twop-tert-Butylsulfonylcalix[4]arene Supported Cluster Complexes with a Totally Disordered Ln4(OH)4Cubane Core","Crystal Growth & Design","2012","12","6","2948","","10.1021/cg300173t","","","0.71073","MoKα","","0.0688","0.0594","","","0.1718","0.1779","","","","","","1.059","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506691","7.257","0.0003","25.9657","0.001","7.5506","0.0003","90","","90","","90","","1422.78","0.1","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C12 H12 Mn N2 O5 -","- C12 H12 Mn N2 O5 -","- C48 H48 Mn4 N8 O20 -","4","0.5","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","x-ray","1.54184","CuKα","","0.0863","0.0793","","","0.2326","0.2403","","","","","","1.142","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4509137","12.993","0.003","9.3582","0.0019","9.85","0.002","90","","90","","90","","1197.7","0.4","298","2","298","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H14 Cd3 Cl2 N22 -","- C8 H14 Cd3 Cl2 N22 -","- C16 H28 Cd6 Cl4 N44 -","2","0.25","","Yao, Ya-Li; Xue, Lin; Che, Yun-Xia; Zheng, Ji-Min","Syntheses, Structures, and Characterizations of Two Pairs of Cd(II)-5-Aminotetrazolate Coordination Polymers","Crystal Growth & Design","2009","9","1","606","","10.1021/cg8009157","","x-ray","0.71073","MoKα","","0.0228","0.0188","","","0.0415","0.0425","","","","","","1.059","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509242","14.2272","0.0004","6.9948","0.0003","18.3352","0.0004","90","","90","","90","","1824.65","0.1","295","2","295","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C17 H15 Cl3 N2 Ni O2 -","- C17 H15 Cl3 N2 Ni O2 -","- C68 H60 Cl12 N8 Ni4 O8 -","4","0.5","","Siegler, Maxime A.; Lutz, Martin","Ni(salen): a System That Forms Many Solvates with Interacting Ni Atoms","Crystal Growth & Design","2009","9","2","1194","","10.1021/cg801109n","","","0.71073","MoKα","","0.0614","0.0466","","","0.1068","0.1184","","","","","","1.095","","","","has coordinates,has disorder","179628","2020-10-21","18:00:00",""
"4510525","5.2569","0.0003","9.7336","0.0008","26.8467","0.0016","90","","90","","90","","1373.71","0.16","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Cs2 Mo3 O12 Th -","- Cs2 Mo3 O12 Th -","- Cs8 Mo12 O48 Th4 -","4","0.5","","Xiao, Bin; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Unexpected Structural Complexity in Cesium Thorium Molybdates","Crystal Growth & Design","2014","14","5","2677","","10.1021/cg500418e","","","0.71073","MoKα","","0.0949","0.0536","","","0.1072","0.1298","","","","","","1.104","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510664","10.6636","0.0003","13.3253","0.0003","20.0859","0.0005","90","","90","","90","","2854.12","0.12","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C13 H5 O17 U3 -","- C13 H5 O17 U3 -","- C52 H20 O68 U12 -","4","0.5","","Falaise, Clément; Volkringer, Christophe; Loiseau, Thierry","Mixed Formate-Dicarboxylate Coordination Polymers with Tetravalent Uranium: Occurrence of Tetranuclear {U4O4} and Hexanuclear {U6O4(OH)4} Motifs","Crystal Growth & Design","2013","13","7","3225","","10.1021/cg400643g","","","0.71073","MoKα","","0.0342","0.0251","","","0.0956","0.1118","","","","","","1.252","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511638","10.0413","0.0002","15.5554","0.0003","10.0309","0.0002","90","","90","","90","","1566.79","0.05","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H34 Ni O24 U2 -","- C18 H30 Ni O24 U2 -","- C36 H60 Ni2 O48 U4 -","2","0.25","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0336","0.0322","","","0.0824","0.0828","","","","","","1.262","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511639","10.1436","0.0005","15.6398","0.0007","10.0394","0.0004","90","","90","","90","","1592.69","0.12","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H34 Cu O24 U2 -","- C18 H30 Cu O24 U2 -","- C36 H60 Cu2 O48 U4 -","2","0.25","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0392","0.0322","","","0.0777","0.0796","","","","","","1.169","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4512948","16.187","0.003","19.43","0.004","14.641","0.003","90","","90","","90","","4604.8","1.6","120","2","120","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Bi2 Na4 O98.55 W18 Zn6 -","- Bi2 Na4 O98.56 W18 Zn6 -","- Bi4 Na8 O197.12 W36 Zn12 -","2","0.25","","Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny","Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity","ACS Catalysis","2015","5","6","3336","","10.1021/acscatal.5b00066","","","0.71073","MoKα","","0.0499","0.0423","","","0.1119","0.1153","","","","","","1.063","","","","has coordinates","140058","2020-10-21","18:00:00",""
"4513155","25.521","0.004","9.907","0.0015","7.4027","0.0014","90","","90","","90","","1871.7","0.5","152.98","0.1","152.98","0.1","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H40 Cu2 N8 O2 -","- C36 H28 Cu2 N8 -","- C72 H56 Cu4 N16 -","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","","","1.54184","CuKα","","0.0895","0.0671","","","0.1806","0.2095","","","","","","1.064","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513565","11.4489","0.0008","13.1094","0.0009","19.6876","0.0014","90","","90","","90","","2954.9","0.4","275","2","275","2","","","","","","","see text","3","P n n m","-P 2 2n","58","","","","- C11 H18 O -","- C11 H19.3333 O -","- C132 H232 O12 -","12","1.5","","Hassine, Bacem Ben; Negrier, Philippe; Barrio, María; Mondieig, Denise; Massip, Stéphane; Tamarit, Josep Ll.","Phase Transition in Hydrogen-Bonded 1-Adamantane-methanol","Crystal Growth & Design","2015","15","8","4149","","10.1021/acs.cgd.5b00764","","","1.54187","CuKα","","0.1065","0.0689","","","0.1675","0.1815","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4514929","7.21","0.0014","9.2","0.0018","13.84","0.003","90","","90","","90","","918","0.3","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","Schwartz reagent","Bis(cyclopentadienyl)zirconium(IV) chloride hydride","","- C10 H11 Cl Zr -","- C10 H11 Cl Zr -","- C40 H44 Cl4 Zr4 -","4","0.5","","Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.","Characterization of Reactive Organometallic Species via MicroED.","ACS central science","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.1645","0.1495","","","0.3625","0.3785","","","","","","2.254","","","","has coordinates","220091","2020-10-21","18:00:00",""
"4516472","13.9505","0.0008","17.0655","0.0009","19.0417","0.0011","90","","90","","90","","4533.3","0.4","296","2","296.15","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C8 N9 O37 U5 -","- C8 N9 O37 U5 -","- C32 N36 O148 U20 -","4","0.5","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.1051","0.0653","","","0.1458","0.1603","","","","","","1.149","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4517662","22.0548","0.0005","8.5264","0.0002","6.69588","0.00017","90","","90","","90","","1259.15","0.05","274","","274","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C30 H28 N6 -","- C30 H28 N6 -","- C60 H56 N12 -","2","0.25","","Uekusa, Tomoki; Sato, Ryonosuke; Yoo, Dongho; Kawamoto, Tadashi; Mori, Takehiko","Transistor Characteristics of Charge-Transfer Complexes Observed across a Neutral-Ionic Transition.","ACS applied materials & interfaces","2020","12","21","24174","24183","10.1021/acsami.0c03898","","","1.54187","CuKα","","0.1143","0.0611","","","0.1635","0.2204","","","","","","0.998","","","","has coordinates,has disorder","252587","2020-10-21","18:00:00",""
"4519362","10.316","0.004","7.114","0.003","9.458","0.004","90","","90","","90","","694.1","0.5","296","2","296","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H16 Co N2 O8 -","- C8 H16 Co N2 O8 -","- C16 H32 Co2 N4 O16 -","2","0.25","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71076","MoKα","","0.0422","0.0357","","","0.0793","0.083","","","","","","1.196","","","","has coordinates","273269","2022-03-03","21:15:57",""
"4519448","13.7562","0.0006","6.327","0.0003","7.105","0.0003","90","","90","","90","","618.39","0.05","150","","150","","","","","","","","","4","P n n m","-P 2 2n","58","Paraquat Dichloride","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(chloride)","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","0.25","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0307","0.0301","","","0.0857","0.0865","","","","","","1.136","","","","has coordinates,has Fobs","287197","2023-11-01","18:34:31",""
"5000037","4.443","","5.424","","3.386","","90","","90","","90","","81.6","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Iron persulfide","Marcasite","?","- Fe S2 -","- Fe2 S4 -","2","0.25","","Brostigen, G; Kjekshus, A; Romming, C","","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","2791","2796","10.3891/acta.chem.scand.27-2791","","","","","","0.0561","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"5900009","4.87","","6.46","","4.14","","90","","90","","90","","130.25","","","","98","","","","","","","","","2","P n n m","-P 2 2n","58","","Ethylene","","- C2 H4 -","- C2 H4 -","- C4 H8 -","2","0.25","","Bunn, C. W.","The crystal structure of ethylene","Transactions of the Faraday Society","1944","40","","23","25","10.1039/tf9444000023","","","","","","","","","","","","","","","","","","","","","has coordinates","209034","2020-10-21","18:00:00",""
"5910040","14.53","","14.24","","8.02","","90","","90","","90","","1659.4","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Cl10 O2 P2 Sn -","- Cl256 O32 P32 Sn16 -","- Cl256 O32 P32 Sn16 -","","","","Wyckoff, R. W. G.","Pages 116 & 117 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","116","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000369","11.844","","19.394","","3.4648","","90","","90","","90","","795.87","","","","","","","","","","","","","4","P n n m","","","","","","- Mo0.11 Se8 Si2 Ta10.89 -","","","","","","Mrotzek, A.; Harbrecht, B.","Ta11Si2Se8-condensed tetrakaidecahedral Ta9Si clusters arranged to an open network structure","European Journal of Inorganic Chemistry","1999","","","87","93","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000404","12.948","","26.501","","4.1936","","90","","90","","90","","1438.97","","","","","","","","","","","","","3","P n n m","","","","","","- Cs3 Gd7 Se12 -","","","","","","Folchnandt, M.; Schleid, T.","Ternary selenides of the lanthanides with alkali metals: I. The composition Cs3M7Se12 (M = Gd-Ho)","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1998","624","","1595","1600","10.1002/(SICI)1521-3749(199810)624:10<1595::AID-ZAAC1595>3.0.CO;2-C","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000405","12.804","","26.212","","4.1213","","90","","90","","90","","1383.18","","","","","","","","","","","","","3","P n n m","","","","","","- Cs3 Ho7 Se12 -","","","","","","Folchnandt, M.; Schleid, T.","Ternary selenides of the lanthanides with alkali metals: I. The composition Cs3M7Se12 (M = Gd-Ho)","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1998","624","","1595","1600","10.1002/(SICI)1521-3749(199810)624:10<1595::AID-ZAAC1595>3.0.CO;2-C","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000406","12.894","","26.403","","4.1682","","90","","90","","90","","1419.02","","","","","","","","","","","","","3","P n n m","","","","","","- Cs3 Se12 Tb7 -","","","","","","Folchnandt, M.; Schleid, T.","Ternary selenides of the lanthanides with alkali metals: I. The composition Cs3M7Se12 (M = Gd-Ho)","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1998","624","","1595","1600","10.1002/(SICI)1521-3749(199810)624:10<1595::AID-ZAAC1595>3.0.CO;2-C","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000407","12.853","","26.315","","4.1447","","90","","90","","90","","1401.85","","","","","","","","","","","","","3","P n n m","","","","","","- Cs3 Dy7 Se12 -","","","","","","Folchnandt, M.; Schleid, T.","Ternary selenides of the lanthanides with alkali metals: I. The composition Cs3M7Se12 (M = Gd-Ho)","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1998","624","","1595","1600","10.1002/(SICI)1521-3749(199810)624:10<1595::AID-ZAAC1595>3.0.CO;2-C","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000410","5.9985","","7.0711","","7.414","","90","","90","","90","","314.47","","","","","","","","","","","","","3","P n n m","","","","","","- C4 Co N6 -","","","","","","Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.","Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)","Chemistry of Materials","1998","10","","2552","2560","10.1021/cm980321y","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000411","5.9736","","7.032","","7.2942","","90","","90","","90","","306.4","","","","","","","","","","","","","3","P n n m","","","","","","- C4 N6 Ni -","","","","","","Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.","Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)","Chemistry of Materials","1998","10","","2552","2560","10.1021/cm980321y","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000726","8.713","","9.007","","7.006","","90","","90","","90","","549.82","","","","","","","","","","","","","4","P n n m","","","","","","- Li3 N4 Nb Sr2 -","","","","","","Chen, X. Z.; Eick, H. A.","Synthesis and structure of two new quaternary nitrides: Li3Sr2MN4 (M=Nb, Ta)","Journal of Solid State Chemistry","1997","130","","1","8","10.1006/jssc.1996.7202","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000727","8.7","","9.004","","7","","90","","90","","90","","548.34","","","","","","","","","","","","","4","P n n m","","","","","","- Li3 N4 Sr2 Ta -","","","","","","Chen, X. Z.; Eick, H. A.","Synthesis and structure of two new quaternary nitrides: Li3Sr2MN4 (M=Nb, Ta)","Journal of Solid State Chemistry","1997","130","","1","8","10.1006/jssc.1996.7202","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7005898","17.0801","0.0011","17.0782","0.0011","7.592","0.0007","90","","90","","90","","2214.6","0.3","213","2","213","2","","","","","","","","8","P n n m","-P 2 2n","58","Silver(i) Hexaflurosilicate Tetrafluoroborate Complex with Pyridazino(4,5-d)pyridazine Hydrate","Silver(I) Hexaflurosilicate Tetrafluoroborate Complex with Pyridazino[4,5-d]pyridazine Hydrate","","- C30 H28 Ag4 B2 F14 N20 O4 Si -","- C30 H20 Ag4 B2 F14 N20 O4 Si -","- C60 H40 Ag8 B4 F28 N40 O8 Si2 -","2","0.25","","Konstantin V. Domasevitch; Pavlo V. Solntsev; Il'ya A. Gural'skiy; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Judith A. K. Howard","Silver(I) ions bridged by pyridazine: doubling the ligand functionality for the design of unusual 3D coordination frameworks.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3893","3905","10.1039/b706731c","","","0.71073","MoKα","","0.0512","0.0419","","","0.1195","0.123","","","","","","1.057","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7010122","10.519","0.003","11.153","0.003","9.575","0.006","90","","90","","90","","1123.3","0.8","213","2","213","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C18 H44 N4 Zn2 -","- C18 H44 N4 Zn2 -","- C36 H88 N8 Zn4 -","2","0.25","","Coward, Kathleen M.; Jones, Anthony C.; Steiner, Alexander; Bickley, Jamie F.; Smith, Lesley M.; Pemble, Martyn E.","Dimethylzinc adducts with macrocyclic amines","Journal of the Chemical Society, Dalton Transactions","2000","","19","3480","","10.1039/b006253g","","","0.71073","MoKα","","0.0525","0.0312","","","0.0731","0.0764","","","","","","0.945","","","","has coordinates","179805","2020-10-21","18:00:00",""
"7011033","10.588","0.004","23.728","0.012","6.374","0.001","90","","90","","90","","1601.4","1","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C22 H44 Ag4 N12 O11 -","- C22 H44 Ag4 N12 O11 -","- C44 H88 Ag8 N24 O22 -","2","0.25","","Shao-Liang Zheng; Ming-Liang Tong; Xiao-Ming Chen; Seik Weng Ng","Self-assembly of new three-dimensional molecular architectures constructed from silver(I)‒hexamethylenetetramine layers with supramolecular interactions","J. Chem. Soc., Dalton Trans.","2002","","3","360","364","10.1039/b106925j","","","0.71073","MoKα","","0.0632","0.0499","","","0.1345","0.1424","","","","","","1.062","","","","has coordinates","179814","2020-10-21","18:00:00",""
"7012200","18.5773","0.0006","22.7989","0.0009","14.5097","0.0004","90","","90","","90","","6145.5","0.4","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C12 H33 Ge6 N O39 V9 -","- C12 Ge6 N O39 V9 -","- C48 Ge24 N4 O156 V36 -","4","0.5","","Chen, Yan-Min; Wang, En-Bo; Lin, Bi-Zhou; Wang, Shu-Tao","The first polyoxoalkoxovanadium germanate anion with a novel cage-like structure: solvothermal synthesis and characterization","Dalton Transactions","2003","","4","519","","10.1039/b208489a","","","0.71073","MoKα","","0.0895","0.0574","","","0.1588","0.1665","","","","","","0.985","","","","has coordinates","179826","2020-10-21","18:00:00",""
"7012922","19.208","0.007","10.995","0.004","13.369","0.005","90","","90","","90","","2823.4","1.8","213","2","213","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C30 H86 K2 N4 O6 Si6 Zn2 -","- C30 H86 K2 N4 O6 Si6 Zn2 -","- C60 H172 K4 N8 O12 Si12 Zn4 -","2","0.25","","Merz, Klaus; Block, Stefan; Schoenen, Robert; Driess, Matthias","Facile synthesis and structural variation of novel heterobimetallic alkali metal?zinc-alkoxide and -siloxide clustersElectronic supplementary information (ESI) available: the ESI spectra of the reaction mixtures tBuOLi + ZnMe2, Me3SiOK + ZnMe2 and tBuOK + ZnMe2. See http://www.rsc.org/suppdata/dt/b3/b302585c/","Dalton Transactions","2003","","17","3365","","10.1039/b302585c","","","0.71073","MoKα","","0.0873","0.0527","","","0.1228","0.146","","","","","","1.057","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013224","10.0111","0.0011","14.891","0.003","9.692","0.002","90","","90","","90","","1444.8","0.4","150","1","150","1","","","","","","","","6","P n n m","-P 2 2n","58","dichloro(5,7-hydroxy-6-oxo-1,4,8,11-tetraazacyclotetradecane- 5,7-diene)cobalt(","dichloro(5,7-hydroxy-6-oxo-1,4,8,11-tetraazacyclotetradecane-5,7- diene)cobalt(","","- C10 H17 Cl2 Co N4 O3.5 -","- C10 H17 Cl2 Co N4 O3.5 -","- C40 H68 Cl8 Co4 N16 O14 -","4","0.5","","Funston, Alison M.; Ghiggino, Kenneth P.; Grannas, Martin J.; David McFadyen, W.; Tregloan, Peter A.","Synthesis, structural studies and photochemistry of cobalt(iii) complexes of anthracenylcyclam macrocyclesElectronic supplementary information (ESI) available: Selected bond lengths and angles and ORTEP diagrams for compound 8 and complexes [Co(3)Cl2]Cl�4H2O, [Co(12)Cl2] and [Co(2)Cl2]Cl�0.5CH3OH. See http://www.rsc.org/suppdata/dt/b3/b305773a/","Dalton Transactions","2003","","19","3704","","10.1039/b305773a","","","1.5418","CuKα","","0.1199","0.0854","","","0.2246","0.2472","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014107","10.2","0.002","16.548","0.004","8.8928","0.0015","90","","90","","90","","1501","0.5","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","Trichloro(1,5-diselenacyclooctane)arsenic(III) dichloromethane solvate","","- C7 H14 As Cl5 Se2 -","- C7 H14 As Cl5 Se2 -","- C28 H56 As4 Cl20 Se8 -","4","0.5","","Hill, Nicholas J.; Levason, William; Patel, Rina; Reid, Gillian; Webster, Michael","Unusual structural trends in the [MCl3([8]aneSe2)](M = As, Sb, Bi) adducts.","Dalton transactions (Cambridge, England : 2003)","2004","","7","980","981","10.1039/b401384k","","","0.71073","MoKα","","0.065","0.0419","","","0.1015","0.1105","","","","","","1.021","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7015089","16.004","0.003","15.268","0.003","15.745","0.003","90","","90","","90","","3847.3","1.3","150","2","150","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C35 H37 Cl2 N6 Ni3 O9.5 -","- C35 H34 Cl2 N6 Ni3 O9.5 -","- C140 H136 Cl8 N24 Ni12 O38 -","4","0.5","","Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh","Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2744","2756","10.1039/c0dt00978d","","","0.71073","MoKα","","0.0975","0.0721","","","0.1995","0.2122","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018044","12.847","0.0017","14.844","0.0019","15.148","0.002","90","","90","","90","","2888.7","0.7","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C48 H66 Mg3 N8 O24 -","- C32 H28 Mg3 N4 O20 -","- C64 H56 Mg6 N8 O40 -","2","0.25","","Wang, Hai-Ning; Meng, Xing; Wang, Xin-Long; Yang, Guang-Sheng; Su, Zhong-Min","Auxiliary ligand induced structural allomorphism in nanotubular microporous metal-organic frameworks based on discrete magnesium clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2231","2233","10.1039/c2dt11872f","","","0.71069","MoKα","","0.0886","0.0638","","","0.1873","0.1983","","","","","","1.077","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7019430","28.2333","0.0005","8.7809","0.0002","11.3833","0.0002","90","","90","","90","","2822.08","0.1","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","bis-[1,3,5,7-tetra(1,2,4-triazol-4-yl)adamantane]-hexachloro- tricadmium(II) Nonahydrate","","- C36 H58 Cd3 Cl6 N24 O9 -","- C36 H40 Cd3 Cl6 N24 O9 -","- C72 H80 Cd6 Cl12 N48 O18 -","2","0.25","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.0643","0.0556","","","0.1281","0.1314","","","","","","1.138","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7022056","21.5363","0.0006","25.9588","0.0007","19.9914","0.0004","90","","90","","90","","11176.3","0.5","296","2","296","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C94 H91 Br12 Co2 N15 O21 Re3 -","- C94 H91 Br12 Co2 N15 O21 Re3 -","- C376 H364 Br48 Co8 N60 O84 Re12 -","4","0.5","","Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Lloret, Francesc; Faus, Juan","Ferromagnetic coupling and spin canting behaviour in heterobimetallic Re(IV)M(II/III) (M = Co(II/III), Ni(II)) species.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1687","1695","10.1039/c2dt31546g","","","0.71073","MoKα","","0.0812","0.0569","","","0.1847","0.2108","","","","","","1.125","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7024183","8.964","0.003","19.451","0.004","12.282","0.003","90","","90","","90","","2141.5","1","293","2","293","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C4 H36 Mo4 N Na5 O39 P4 V -","- C4 H6 Mo4 N Na5 O39 P4 V -","- C8 H12 Mo8 N2 Na10 O78 P8 V2 -","2","0.25","","Tan, Huaqiao; Chen, Weilin; Liu, Ding; Li, Yangguang; Wang, Enbo","Two new cantilever-type polyoxometalates constructed from {Mo(2)O(4)}(2+) fragments and diphosphonates.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1245","1249","10.1039/b912321k","","","0.71073","MoKα","","0.0774","0.0508","","","0.1138","0.1243","","","","","","1.028","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00",""
"7027508","7.2723","0.0003","6.1126","0.0003","7.5563","0.0004","90","","90","","90","","335.9","0.03","123","2","123","2","","","","","","","","3","P n n m","-P 2 2n","58","","manganese bis(dicyanamide)","","- C4 Mn N6 -","- C4 Mn N6 -","- C8 Mn2 N12 -","2","0.25","","Batten, Stuart R.; Jensen, Paul; Kepert, Cameron J.; Kurmoo, Mohamedally; Moubaraki, Boujemaa; Murray, Keith S.; Price, David J.","Syntheses, structures and magnetism of α-Mn(dca)2, [Mn(dca)2(H2O)2]·H2O, [Mn(dca)2(C2H5OH)2]·(CH3)2CO, [Fe(dca)2(CH3OH)2] and [Mn(dca)2(L)2], where L = pyridine, CH3OH or DMF and dca− = dicyanamide, N(CN)2− †","Journal of the Chemical Society, Dalton Transactions","1999","","17","2987","","10.1039/a903487k","","","0.71073","MoKα","","0.0287","0.0249","","0.0645","0.0629","","","","1.133","1.161","1.161","","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7029147","14.9927","0.0017","17.2321","0.0016","24.798","0.003","90","","90","","90","","6406.7","1.2","170","2","170","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C29 H16 Ni2 O14 -","- C29 H16 Ni2 O14 -","- C116 H64 Ni8 O56 -","4","0.5","","Almáši, Miroslav; Zeleňák, Vladimír; Opanasenko, Maksym; Cejka, Jíří","A novel nickel metal-organic framework with fluorite-like structure: gas adsorption properties and catalytic activity in Knoevenagel condensation.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3730","3738","10.1039/c3dt52698d","","","0.71073","MoKα","","0.1365","0.0863","","","0.2356","0.2556","","","","","","0.899","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029218","12.2143","0.0013","13.8051","0.0015","16.5293","0.0017","90","","90","","90","","2787.2","0.5","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C36 H48 Co3 N30 O6 -","- C36 H48 Co3 N30 O6 -","- C72 H96 Co6 N60 O12 -","2","0.25","","Wu, Bing-Yan; Yang, Chen-I; Nakano, Motohiro; Lee, Gene-Hsiang","Ferromagnetic interaction and slow magnetic relaxation in a Co3 cluster-based three-dimensional framework.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","47","50","10.1039/c3dt51997j","","","0.71073","MoKα","","0.1142","0.1039","","","0.253","0.2595","","","","","","1.211","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7031780","10.7143","0.0009","7.5271","0.0007","10.4913","0.0009","90","","90","","90","","846.1","0.13","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Eu3 Na15 O36 Si12 -","- Eu3 Na15 O36 Si12 -","- Eu3 Na15 O36 Si12 -","1","0.125","","Liu, Wei; Ji, Ying; Bao, Xinjian; Wang, Ying; Li, Benxian; Wang, Xiaofeng; Zhao, Xudong; Liu, Xiaoyang; Feng, Shouhua","Novel open-framework europium silicates prepared under high-temperature and high-pressure conditions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13892","13898","10.1039/c4dt01707b","","","0.71073","MoKα","","0.0309","0.0288","","","0.1068","0.1094","","","","","","1.004","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031914","12.9191","0.0005","14.674","0.0006","11.9279","0.0004","90","","90","","90","","2261.23","0.15","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C24 H40 Cl4 Cu2 N8 O30 -","- C24 H32 Cl4 Cu2 N8 O30 -","- C48 H64 Cl8 Cu4 N16 O60 -","2","0.25","","Singh, Amanpreet; Singh, Ajnesh; Singh, Narinder","A Cu(ii) complex of an imidazolium-based ionic liquid: synthesis, X-ray structure and application in the selective electrochemical sensing of guanine.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16283","16288","10.1039/c4dt01759e","","","0.71073","MoKα","","0.0644","0.0584","","","0.1747","0.1814","","","","","","1.047","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7033109","13.3226","0.0004","16.3848","0.0005","6.9437","0.0002","90","","90","","90","","1515.73","0.08","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C13 H16 Cd N2 O7 S -","- C13 H15 Cd N2 O7 S -","- C52 H60 Cd4 N8 O28 S4 -","4","0.5","","Zhao, Shu-Na; Song, Xue-Zhi; Zhu, Min; Meng, Xing; Wu, Lan-Lan; Song, Shu-Yan; Wang, Cheng; Zhang, Hong-Jie","Assembly of three coordination polymers based on a sulfonic-carboxylic ligand showing high proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","948","954","10.1039/c4dt02870h","","","0.71073","MoKα","","0.034","0.0326","","","0.1047","0.106","","","","","","1.11","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033237","11.6119","0.0006","8.6116","0.0005","8.8761","0.0005","90","","90","","90","","887.58","0.09","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C5.4 H9.6 Cl2 Cu3 N16 O1.4 -","- C5.4 H9.6 Cl2 Cu3 N16 O1.4 -","- C10.8 H19.2 Cl4 Cu6 N32 O2.8 -","2","0.25","","Hou, Zhao-Jun; Liu, Zhong-Yi; Liu, Ning; Yang, En-Cui; Zhao, Xiao-Jun","Four tetrazolate-based 3D frameworks with diverse subunits directed by inorganic anions and azido coligand: hydro/solvothermal syntheses, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2223","2233","10.1039/c4dt03172e","","","0.71073","MoKα","","0.0369","0.0342","","","0.0982","0.1026","","","","","","1.211","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7037732","47.9643","0.0014","16.6262","0.0005","26.0764","0.0008","90","","90","","90","","20795","1.1","100","2","100","2","","","","","","","","7","P n n m","-P 2 2n","58","","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]2[Ni2(O2C5H9)4]","","- C200 H358 Cr14 F16 N4 Ni4 O74 -","- C200 H362 Cr14 F16 N4 Ni4 O74 -","- C400 H724 Cr28 F32 N8 Ni8 O148 -","2","0.25","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.7749","synchrotron","","0.1717","0.1564","","","0.4032","0.4114","","","","","","1.145","","","","has coordinates","176005","2020-10-21","18:00:00",""
"7037797","13.043","0.003","8.1888","0.0016","11.148","0.002","90","","90","","90","","1190.7","0.4","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C5 H6 Br Cu4 N9 -","- C5 H6 Br Cu4 N9 -","- C20 H24 Br4 Cu16 N36 -","4","0.5","","Song, Jiang-Feng; Li, Yang; Zhou, Rui-Sha; Hu, Tuo-Ping; Wen, Yan-Liang; Shao, Jia; Cui, Xiao-Bing","A novel 3D Cu(i) coordination polymer based on Cu6Br2 and Cu2(CN)2 SBUs: in situ ligand formation and use as a naked-eye colorimetric sensor for NB and 2-NT.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","545","551","10.1039/c5dt03656a","","","0.71073","MoKα","","0.0581","0.0402","","","0.079","0.0853","","","","","","1.111","","","","has coordinates","171870","2020-10-21","18:00:00",""
"7038694","16.0272","0.0004","15.8081","0.0003","14.4694","0.0003","90","","90","","90","","3665.96","0.14","183","2","183","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C40 H96 Cl4 F12 P10 Re2 Si2 -","- C40 H98 Cl4 F12 P10 Re2 Si2 -","- C80 H196 Cl8 F24 P20 Re4 Si4 -","2","0.25","","Li, Yan; Blacque, Olivier; Fox, Thomas; Luber, Sandra; Polit, Walther; Winter, Rainer F.; Venkatesan, Koushik; Berke, Heinz","Electronic communication in phosphine substituted bridged dirhenium complexes - clarifying ambiguities raised by the redox non-innocence of the C4H2- and C4-bridges.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5783","5799","10.1039/c5dt04768d","","","0.71073","MoKα","","0.0501","0.0308","","","0.0674","0.0704","","","","","","0.969","","","","has coordinates","181636","2020-10-21","18:00:00",""
"7038695","16.2406","0.0002","15.7552","0.0002","14.4581","0.0002","90","","90","","90","","3699.45","0.08","183","2","183","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C40 H94 Cl4 F12 P10 Re2 Si2 -","- C40 H96 Cl4 F12 P10 Re2 Si2 -","- C80 H192 Cl8 F24 P20 Re4 Si4 -","2","0.25","","Li, Yan; Blacque, Olivier; Fox, Thomas; Luber, Sandra; Polit, Walther; Winter, Rainer F.; Venkatesan, Koushik; Berke, Heinz","Electronic communication in phosphine substituted bridged dirhenium complexes - clarifying ambiguities raised by the redox non-innocence of the C4H2- and C4-bridges.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5783","5799","10.1039/c5dt04768d","","","0.71073","MoKα","","0.0383","0.0257","","","0.0657","0.0676","","","","","","0.981","","","","has coordinates","181636","2020-10-21","18:00:00",""
"7038760","14.7117","0.0019","9.0337","0.0011","13.859","0.0016","90","","90","","90","","1841.9","0.4","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C11 H20 Cu N2 O10 P2 -","- C11 H20 Cu N2 O10 P2 -","- C44 H80 Cu4 N8 O40 P8 -","4","0.5","","Hou, Xiaomin; Tang, Si-Fu","Speciation of metal phosphonates with the assistance of weak interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7349","7359","10.1039/c6dt00643d","","","0.71073","MoKα","","0.0709","0.0429","","","0.1076","0.1262","","","","","","0.95","","","","has coordinates","182737","2020-10-21","18:00:00",""
"7039120","33.5532","0.0015","16.9349","0.0007","27.2581","0.0011","90","","90","","90","","15488.6","1.1","200","1","200","1","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C60 H84 Cl0.5 Cu4 Mo3 N36 O40.5 -","- C60 H84 Cl0.5 Cu4 Mo3 N36 O40.5 -","- C240 H336 Cl2 Cu16 Mo12 N144 O162 -","4","0.5","","Bridonneau, N.; Chamoreau, L.-M.; Gontard, G.; Cantin, J.-L.; von Bardeleben, J.; Marvaud, V.","A high-nuclearity metal-cyanide cluster [Mo6Cu14] with photomagnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9412","9418","10.1039/c6dt00743k","","","0.71073","MoKα","","0.1382","0.1086","","","0.2902","0.3113","","","","","","1.197","","","","has coordinates,has disorder","185518","2020-10-21","18:00:00",""
"7041366","28.703","0.003","33.963","0.003","24.664","0.003","90","","90","","90","","24043","4","296","2","296","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C198 H333 Cl6 N42 Na4 Nd38 Ni42.5 O339 -","- C198 H190 Cl6 N42 Na4 Nd38 Ni42.5 O339 -","- C396 H380 Cl12 N84 Na8 Nd76 Ni85 O678 -","2","0.25","","Lin, Qingfang; Zhang, Yu; Cheng, Weiwei; Liu, Ying; Xu, Yan","Isolation, structure and magnetic properties of two novel core-shell 3d-4f heterometallic nanoscale clusters.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","643","646","10.1039/c6dt04118c","","","0.71073","MoKα","","0.1631","0.0688","","","0.1723","0.2109","","","","","","1.016","","","","has coordinates,has disorder","191641","2020-10-21","18:00:00",""
"7043375","11.2966","0.0009","14.7871","0.0013","6.9961","0.0005","90","","90","","90","","1168.66","0.16","298","2","298","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C4 H24 N16 O14 Sr2 -","- C4 H24 N16 O14 Sr2 -","- C8 H48 N32 O28 Sr4 -","2","0.25","","He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo","Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable","Dalton Trans.","2017","","","","","10.1039/C7DT01179B","","","0.71073","MoKα","","0.0369","0.031","","","0.0722","0.0747","","","","","","1.014","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7043687","8.1154","0.0006","10.4942","0.0006","13.688","0.0008","90","","90","","90","","1165.73","0.13","183","2","183","2","","","","","","","","5","P n n m","-P 2 2n","58","[Tc(Me6Ph)2](PF6)","","","- C24 H36 F6 P Tc -","- C24 H36 F6 P Tc -","- C48 H72 F12 P2 Tc2 -","2","0.25","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","0.71073","MoKα","","0.0545","0.0355","","","0.0769","0.0846","","","","","","1.099","","","","has coordinates","198800","2020-10-21","18:00:00",""
"7046535","10.0389","0.0003","11.3316","0.0003","16.6903","0.0004","90","","90","","90","","1898.64","0.09","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H12 Cl2 Cu2 N3 -","- C18 H12 Cl2 Cu2 N3 -","- C72 H48 Cl8 Cu8 N12 -","4","0.5","","Kwon, Hyunchul; Lee, Eunsung","Static and dynamic coordination behaviours of copper(i) ions in hexa(2-pyridyl)benzene ligand systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8448","8455","10.1039/c8dt01424h","","","1.54178","CuKα","","0.1121","0.0982","","","0.2453","0.2522","","","","","","1.823","","","","has coordinates","229656","2020-10-21","18:00:00",""
"7046814","7.687","0.0015","18.84","0.004","4.189","0.0008","90","","90","","90","","606.7","0.2","100","","100","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H16 Br2 O2 Yb -","- C8 H16 Br2 O2 Yb -","- C16 H32 Br4 O4 Yb2 -","2","0.25","","de Bruin-Dickason, Caspar N; Boutland, Aaron J.; Dange, Deepak; Deacon, Glen B.; Jones, Cameron","Redox transmetallation approaches to the synthesis of extremely bulky amido-lanthanoid(ii) and -calcium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9512","9520","10.1039/c8dt02138d","","x-ray","0.7109","synchrotron","","0.0413","0.0388","","","0.0942","0.0955","","","","","","1.068","","","","has coordinates","229197","2020-10-21","18:00:00",""
"7051930","17.992","0.003","7.671","0.0012","11.309","0.0018","90","","90","","90","","1560.8","0.4","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","work","","","- C30 H36 Cl2 Cu N8 O2 -","- C30 H36 Cl2 Cu N8 O2 -","- C60 H72 Cl4 Cu2 N16 O4 -","2","0.25","","Dobrzańska, Liliana; Kleinhans, Dewald J.; Barbour, Leonard J.","Influence of the metal-to-ligand ratio on the formation of metal organic complexes","New Journal of Chemistry","2008","32","5","813","","10.1039/b800720a","","","0.71073","MoKα","","0.061","0.0453","","","0.0944","0.1002","","","","","","1.123","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7056279","14.598","0.005","5.208","0.005","6.304","0.005","90","0.005","90","0.005","90","0.005","479.3","0.6","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C2 H8 Cd2 N2 O7 V2 -","- C2 H8 Cd2 N2 O7 V2 -","- C4 H16 Cd4 N4 O14 V4 -","2","0.25","","Li, Ning; Zhao, Jian-Guo; Xu, Li; Zhang, Zhong; Huang, Liping; Liu, Yiwei; Lu, Ying; Liu, Shuxia","A 3D cadmium−vanadium bimetallic framework with luminescence properties","New J. Chem.","2017","","","","","10.1039/C7NJ01258F","","","0.71069","MoKα","","0.018","0.018","","","0.0476","0.0476","","","","","","1.295","","","","has coordinates","197147","2020-10-21","18:00:00",""
"7061385","41.902","0.004","12.785","0.0008","15.3738","0.0009","90","","90","","90","","8236","1.1","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C56 H73 Cu Mo5 N4 O24 S6 -","- C56 H65 Cu Mo5 N4 O22 S6 -","- C224 H260 Cu4 Mo20 N16 O88 S24 -","4","0.5","","Ma, Le; Guo, Feifan; Ma, Jian-Fang","Two Cu(i)-based inorganic–organic complexes assembled with polyoxometalate and thiacalix[4]arene for efficient catalytic reactions","New Journal of Chemistry","2022","46","15","6995","7002","10.1039/D2NJ00290F","","","0.71073","MoKα","","0.1523","0.1218","","","0.2637","0.283","","","","","","1.129","","","","has coordinates","275036","2022-05-05","20:47:55",""
"7061386","40.8437","0.0011","12.7317","0.0007","15.4261","0.0007","90","","90","","90","","8021.7","0.6","293","2","293","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C58 H76.5 Cu N4 O28 P0.5 S6 W6 -","- C56 H70.16 Cu N4 O26 P0.5 S6 W6 -","- C224 H280.64 Cu4 N16 O104 P2 S24 W24 -","4","0.5","","Ma, Le; Guo, Feifan; Ma, Jian-Fang","Two Cu(i)-based inorganic–organic complexes assembled with polyoxometalate and thiacalix[4]arene for efficient catalytic reactions","New Journal of Chemistry","2022","46","15","6995","7002","10.1039/D2NJ00290F","","","0.71073","MoKα","","0.1318","0.1138","","","0.2321","0.2414","","","","","","1.106","","","","has coordinates,has disorder","275036","2022-05-05","20:47:55",""
"7100191","12.7372","","4.69546","","15.17928","","90","","90","","90","","907.827","","295","","295","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- B7 Cu H2 Na O13 -","- B7 Cu Na O13 -","- B28 Cu4 Na4 O52 -","4","0.5","","Tao Yang; Guobao Li; Liping You; Jing Ju; Fuhui Liao; Jianhua Lin","MCuB7O12 nH2O (M=Na, K ): A new copper borate with 14-ring channel","Chemical Communications","2005","","","","","10.1039/b506901g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100192","12.6406","","4.75296","","15.38502","","90","","90","","90","","924.336","","295","","295","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- B7 Cu H2 K O13 -","- B7 Cu K O13 -","- B28 Cu4 K4 O52 -","4","0.5","","Tao Yang; Guobao Li; Liping You; Jing Ju; Fuhui Liao; Jianhua Lin","MCuB7O12 nH2O (M=Na, K ): A new copper borate with 14-ring channel","Chemical Communications","2005","","","","","10.1039/b506901g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100238","10.7833","0.0007","10.904","0.0007","14.0624","0.0009","90","","90","","90","","1653.47","0.18","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C10 H9 Ag B F4 N6 O2.5 -","- C10 H6 Ag B F4 N6 O2.5 -","- C40 H24 Ag4 B4 F16 N24 O10 -","4","0.5","","Miao Du.; S. Batten; Jian-Hua Guo.; Xiao-Jun Zhao.","Direction of topological isomers of silver(I) coordination polymers induced by solvent, and selective anion-exchange of a class of PtS-type host frameworks","Chemical Communications","2005","","","","","10.1039/b508479b","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100327","15.156","0.003","15.892","0.003","21.353","0.004","90","","90","","90","","5142.9","1.7","100","2","100","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C2 H82 B32 K6 Mn4 O119 V10 -","- C2 H10 B32 K6 Mn4 O119 V10 -","- C4 H20 B64 K12 Mn8 O238 V20 -","2","0.25","","Ian Williams; Jiwen Cai; Teresa S.-C. Law; Herman H. Y. Sung; Mingmei Wu","Towards ceramic 'enzymes': vanadoborates with bimetallic centers [Zn4(m-B2O4H2)(V10B28O74H8)]8- and [Mn4(m-C2O4)(V10B28O74H8)]10-","Chemical Communications","2005","","","","","10.1039/b414697b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100796","21.5193","0.0006","22.7979","0.0006","14.0456","0.0004","90","","90","","90","","6890.7","0.3","180","2","180","2","","","","","","","","6","P n n m","-P 2 2n","58","[Rh3(CN-iPr)12]Cl3.4.5H2O","","","- C48 H91 Cl3 N12 O4.5 Rh3 -","- C48 H90 Cl3 N12 O4.5 Rh3 -","- C192 H360 Cl12 N48 O18 Rh12 -","4","0.5","","A.L. Balch; James C. Fettinger; Marilyn M. Olmstead; David Pham; Jay Stork; Ngon Tran","Variation in Crystallization Conditions Allows the Isolation of Trimeric as Well as Dimeric and Monomeric Forms of [(Alkyl Isocyanide)4RhI]+.","Chemical Communications","2006","","","","","10.1039/b513700d","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100874","12.386","0.002","27.642","0.005","4.1107","0.0008","90","","90","","90","","1407.4","0.5","173","2","173","2","","","","","","","","4","P n n m","-P 2 2n","58","Rb2Ag1.5Bi7.5Se13","","","- Ag1.5 Bi7.5 Rb2 Se13 -","- Ag1.49 Bi7.51 Rb2 Se13 -","- Ag2.98 Bi15.02 Rb4 Se26 -","2","0.25","","Mercouri Kanatzidis; Duck-Young Chung; Jun-Ho Kim","A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M = Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6, CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13","Chemical Communications","2006","","","","","10.1039/b516790f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100875","12.385","0.003","23.839","0.006","4.1124","0.001","90","","90","","90","","1214.1","0.5","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","Rb2CdBi6Se11","","","- Bi6 Cd Rb2 Se11 -","- Bi6.023 Cd0.97 Rb2 Se11 -","- Bi12.046 Cd1.94 Rb4 Se22 -","2","0.25","","Mercouri Kanatzidis; Duck-Young Chung; Jun-Ho Kim","A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M = Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6, CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13","Chemical Communications","2006","","","","","10.1039/b516790f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101761","10.6659","0.0009","16.1506","0.0014","18.2407","0.0016","90","","90","","90","","3142.2","0.5","174","2","174","2","","","","","","","","5","P n n m","-P 2 2n","58","compound 3","","","- C32 H22 Cl4 N4 O4 -","- C32 H22 Cl4 N4 O4 -","- C128 H88 Cl16 N16 O16 -","4","0.5","","Katz, Jeffrey L; Geller, Bram J; Foster, Peter D","Oxacalixarenes and oxacyclophanes containing 1,8-naphthyridines: a new class of molecular tweezers with concave-surface functionality.","Chemical communications (Cambridge, England)","2007","","10","1026","1028","10.1039/b615336d","","","0.71073","MoKα","","0.0675","0.0567","","","0.1586","0.1685","","","","","","1.054","","","","has coordinates","180119","2020-10-21","18:00:00",""
"7102098","8.414","0.002","10.307","0.003","13.192","0.003","90","","90","","90","","1144","0.5","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C20 H30 F6 Fe Sb -","- C20 H30 F6 Fe Sb -","- C40 H60 F12 Fe2 Sb2 -","2","0.25","","Choi, Doo Seong; Kim, Dong Hyun; Shin, Ueon Sang; Deshmukh, Ravindra R; Lee, Sang-gi; Song, Choong Eui","The dramatic acceleration effect of imidazolium ionic liquids on electron transfer reactions.","Chemical communications (Cambridge, England)","2007","","33","3467","3469","10.1039/b708044a","","","0.71073","MoKα","","0.0785","0.0449","","","0.1197","0.1624","","","","","","1.124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103613","14.923","0.003","15.546","0.003","16.496","0.003","90","","90","","90","","3827","1.3","200","2","200","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C67 H102 Ag2 N8 Ti6 -","- C60 H94 Ag2 N8 Ti6 -","- C120 H188 Ag4 N16 Ti12 -","2","0.25","","Martín, Avelino; Martínez-Espada, Noelia; Mena, Miguel; Mosquera, Marta E G; Pérez-Redondo, Adrián; Yélamos, Carlos","Mercury or silver atoms bridging trinuclear titanium imido-nitrido systems.","Chemical communications (Cambridge, England)","2008","","48","6561","6563","10.1039/b814982h","","x-ray","0.71073","MoKα","","0.074","0.0506","","","0.131","0.1409","","","","","","1.046","","","","has coordinates","180139","2020-10-21","18:00:00",""
"7103721","12.5451","0.0005","15.8535","0.0006","10.8885","0.0002","90","","90","","90","","2165.55","0.13","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C6.5 H6.5 Cu N0.5 O5 S0.5 -","- C6.5 H1.5 Cu N0.5 O5 S0.5 -","- C52 H12 Cu8 N4 O40 S4 -","8","1","","Daofeng Sun; Rong Cao; Wenhua Bi; Daqiang Yuan; Qian Shi; Xing Li","","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b302692b","","","0.71073","MoKα","","","0.0845","","","0.2142","0.2406","","","","","","1.154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103722","10.9368","0.001","16.2104","0.0016","10.7803","0.001","90","","90","","90","","1911.2","0.3","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C9 H7 Cu N O4.5 S0.5 -","- C9 H5.5 Cu N O4.5 S0.5 -","- C72 H44 Cu8 N8 O36 S4 -","8","1","","Daofeng Sun; Rong Cao; Wenhua Bi; Daqiang Yuan; Qian Shi; Xing Li","","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b302692b","","","0.71073","MoKα","","","0.0574","","","0.1032","0.13","","","","","","1.146","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103794","17.781","0.001","7.6026","0.0003","15.0019","0.0008","90","","90","","90","","2028","0.2","123.2","","","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C44.45 H28.9 Br3 Cl0.9 N4 Sb -","- C45.9 H24 Br8 Cl0.9 N7 Sb4 -","- C91.8 H48 Br16 Cl1.8 N14 Sb8 -","2","0.25","","Liu, Jia-Cheng; Ishizuka, Tomoya; Osuka, Atsuhiro; Furuta, Hiroyuki","Modulation of axial coordination in N-confused porphyrin‒antimony(V) dibromide complex by proton stimulus","Chemical Communications (Cambridge, United Kingdom)","2003","","15","1908","1909","10.1039/b301539b","","","0.7107","MoKα","","","0.056","","","","0.066","","","","","","0.884","","","","has coordinates","210576","2020-10-21","18:00:00",""
"7104365","15.5094","0.0004","17.8251","0.0005","24.221","0.0007","90","","90","","90","","6696.1","0.3","298","2","298","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C58 H48 Co4 O24 -","- C58 H32 Co4 O24 -","- C116 H64 Co8 O48 -","2","0.25","","Cheon, Young Eun; Suh, Myunghyun Paik","Selective gas adsorption in a microporous metal-organic framework constructed of CoII4 clusters.","Chemical communications (Cambridge, England)","2009","34","17","2296","2298","10.1039/b900085b","","","0.71073","MoKα","","0.1071","0.0601","","","0.1716","0.1862","","","","","","0.846","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7107516","23.157","0.005","27.317","0.007","22.592","0.005","90","","90","","90","","14291","6","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C75 H34 N10 O37 Zn9 -","- C75 H34 N10 O37 Zn9 -","- C300 H136 N40 O148 Zn36 -","4","0.5","","Zhi-Qiang Jiang; Guiyuan Jiang; Fei Wang; Zhen Zhao; Jian Zhang","Ring-size controllable metallamacrocycles as building blocks for the construction of microporous metal-organic frameworks","Chem.Commun.","2012","48","","3653","","10.1039/c2cc17256a","","","0.71073","MoKα","","0.0677","0.0518","","","0.1461","0.1543","","","","","","0.928","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107645","3.772","0.0008","10.381","0.002","20.876","0.004","90","","90","","90","","817.4","0.3","123","2","123","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C16 H14 Cl2 Cu N6 -","- C16 H14 Cl2 Cu N6 -","- C32 H28 Cl4 Cu2 N12 -","2","0.25","","William Gee; Stuart Batten","Instantaneous gelation of a new copper(II) metallogel amenable to encapsulation of a luminescent lanthanide cluster","Chem.Commun.","2012","48","","4830","","10.1039/c2cc30170a","","","0.710698","synchrotron","","0.0674","0.0635","","","0.1766","0.1852","","","","","","1.108","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7109281","12.4402","","26.07899","","6.9614","","90","","90","","90","","2258.47","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Rb2 (Au6 Sb4 S10)","","- Au6 Rb2 S10 Sb4 -","- Au6 Rb2 S10 Sb4 -","- Au24 Rb8 S40 Sb16 -","4","0.5","","Hanko, J.A.; Kanatzidis, M.G.","Rb2 Au6 Sb4 S10: a novel sulfosalt with two different interpenetrating anionic frameworks: (Au3 Sb4 S8)(-) and (Au3 S2)(-)","Chemical Communications","1998","1998","","725","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7114110","9.9353","0.0004","12.148","0.0005","17.3141","0.0009","90","","90","","90","","2089.71","0.16","123","2","123","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C38 H74 Mg2 N4 Na2 -","- C38 H74 Mg2 N4 Na2 -","- C76 H148 Mg4 N8 Na4 -","2","0.25","","Gallagher, Daniel J.; Henderson, Kenneth W.; Kennedy, Alan R.; O’Hara, Charles T.; Mulvey, Robert E.; Rowlings, René B.","Hydride encapsulation in s-block metal inverse crown chemistry","Chemical Communications","2002","","4","376","","10.1039/b110117j","","","0.71073","MoKα","","0.0816","0.0479","","","0.1016","0.1146","","","","","","1.096","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114980","19.351","0.0015","12.8027","0.0009","13.1887","0.001","90","","90","","90","","3267.4","0.4","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Cs1.17 H0.78 O5.94 Si0.5 V1.94 -","- Cs1.16778 O5.94444 Si0.502222 V1.94222 -","- Cs21.02 O107 Si9.04 V34.96 -","18","2.25","","Wang, Xiqu; Liu, Lumei; Zhang, Ge; Jacobson, Allan J.","An extended chain structure formed by covalently linking polyoxovanadate cages with tetrahedral six rings","Chemical Communications","2001","","23","2472","","10.1039/b108303a","","","0.71073","MoKα","","0.1427","0.0547","","0.167","0.1333","","","","0.936","1.112","1.112","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115193","7.0433","0.0002","5.9748","0.0003","7.4039","0.0004","90","","90","","90","","311.57","0.02","123.2","","123.2","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C4 Co N6 -","- C4 Co N6 -","- C8 Co2 N12 -","2","0.25","","Jensen, Paul; Batten, Stuart R.; Fallon, Gary D.; Moubaraki, Boujemaa; Murray, Keith S.; Price, David J.","Structural isomers of M(dca)2 molecule-based magnets. Crystal structure of tetrahedrally coordinated sheet-like β-Zn(dca)2 and β-Co/Zn(dca)2, and the octahedrally coordinated rutile-like α-Co(dca)2, where dca‒ = dicyanamide, N(CN)2−, and magnetism of β-Co(dca)2","Chemical Communications","1999","","2","177","","10.1039/a808777f","","","0.7107","MoKalpha","","","0.0281","","","0.0285","","","","","2.566","2.566","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7120379","18.8766","0.0007","7.326","0.0003","13.6863","0.0005","90","","90","","90","","1892.68","0.13","100","","100","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C38 H38 Cl2 Dy2 N2 O -","- C38 H38 Cl2 Dy2 N2 O -","- C76 H76 Cl4 Dy4 N4 O2 -","2","0.25","","Burns, Corey P.; Wilkins, Branford O.; Dickie, Courtney M.; Latendresse, Trevor; Vernier, Larry; Vignesh, Kuduva R.; Bhuvanesh, Nattamai; Nippe, Michael","Comparative Study of Magnetization Dynamics in Dinuclear Dysprosium Complexes Featuring Bridging Chloride or Trifluoromethanesulfonate Ligands","Chem. Commun.","2017","","","","","10.1039/C7CC02457F","","","1.54178","CuKα","","0.082","0.0687","","","0.146","0.1553","","","","","","1.336","","","","has coordinates,has disorder","198444","2020-10-21","18:00:00",""
"7121605","16.418","0.007","29.213","0.013","14.052","0.005","90","","90","","90","","6740","5","173","2","173.15","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C51 H59 Cl Cu2 N17 O17 -","- C42 H38 Cl Cu2 N14 O14 -","- C168 H152 Cl4 Cu8 N56 O56 -","4","0.5","","Wu, Xue-Song; Wang, Xin-Long; Zhu, Fu-Long; Bao, Hong-Fei; Qin, Chao; Su, Zhong-Min","Guest exchange in a porous cucurbit[6]uril-based metal-organic rotaxane framework probed by NMR and X-ray crystallography.","Chemical communications (Cambridge, England)","2018","54","43","5474","5477","10.1039/c8cc02847h","","x-ray","0.71073","MoKα","","0.0596","0.0402","","","0.1103","0.1188","","","","","","1.013","","","","has coordinates","228125","2020-10-21","18:00:00",""
"7121606","16.261","0.011","29.33","0.02","14.304","0.009","90","","90","","90","","6822","8","173","2","173.15","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C57 H49 Cl Cu2 N14 O14 -","- C58 H34 Cl Cu2 N14 O14 -","- C232 H136 Cl4 Cu8 N56 O56 -","4","0.5","","Wu, Xue-Song; Wang, Xin-Long; Zhu, Fu-Long; Bao, Hong-Fei; Qin, Chao; Su, Zhong-Min","Guest exchange in a porous cucurbit[6]uril-based metal-organic rotaxane framework probed by NMR and X-ray crystallography.","Chemical communications (Cambridge, England)","2018","54","43","5474","5477","10.1039/c8cc02847h","","x-ray","0.71073","MoKα","","0.0745","0.0573","","","0.1604","0.1756","","","","","","1.081","","","","has coordinates,has disorder","228125","2020-10-21","18:00:00",""
"7122581","8.21","0.005","25.782","0.005","9.467","0.005","90","0.005","90","0.005","90","0.005","2003.9","1.7","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C16 H56 Cl12 N8 O4 Pb2 -","- C16 H56 Cl12 N8 O4 Pb2 -","- C32 H112 Cl24 N16 O8 Pb4 -","2","0.25","","Ma, Yujie; Li, Jing; Ye, Jianxun; Liu, Delong; Zhang, Wanbin","Synthesis of chiral chromanols via a RuPHOX-Ru catalyzed asymmetric hydrogenation of chromones.","Chemical communications (Cambridge, England)","2018","54","96","13571","13574","10.1039/c8cc07787h","","x-ray","0.71073","MoKα","","0.0314","0.0255","","","0.0515","0.0532","","","","","","1.131","","","","has coordinates","228578","2020-10-21","18:00:00",""
"7123356","17.2954","0.0007","33.2059","0.0011","33.2059","0.0011","90","","90","","90","","19070.5","1.2","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C54 H28 N7 O8 Zn3 -","- C54 H28 N7 O8 Zn3 -","- C432 H224 N56 O64 Zn24 -","8","1","","Wang, Xiao-Ning; Li, Jiangli; Zhao, Yu-Meng; Pang, Jiandong; Li, Bao; Zhang, Tianle; Zhou, Hong-Cai","Structural Regulation of Zinc-Porphyrin Frameworks via the Auxiliary Nitrogen-containing Ligands towards the Selective Adsorption of Cationic Dyes","Chemical Communications","2019","","","","","10.1039/C9CC02405K","","","1.54178","CuKα","","0.1897","0.1358","","","0.3669","0.4073","","","","","","1.315","","","","has coordinates,has disorder","214855","2020-10-21","18:00:00",""
"7123931","19.78","0.002","21.915","0.003","33.362","0.004","90","","90","","90","","14462","3","100","2","100.15","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C120 H260 Ag66 Mo9 O72 S28 -","- C120 H260 Ag66 Mo9 O72 S28 -","- C240 H520 Ag132 Mo18 O144 S56 -","2","0.25","","wang , zhi; Yang, Feng-Lei; Yang, Yang; Liu, Qingyun; Sun, Di","Hierarchical Multi-Shell 66-Nuclei Silver Nanoclusters Trapping Subvalent Ag6 Kernels","Chemical Communications","2019","","","","","10.1039/C9CC05044B","","","0.71073","MoKα","","0.1544","0.1224","","","0.3605","0.4347","","","","","","1.867","","","","has coordinates,has disorder","217350","2020-10-21","18:00:00",""
"7124622","12.4801","0.0005","13.772","0.0005","19.2824","0.0008","90","","90","","90","","3314.2","0.2","100","2","100","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C38 H49 N3 Nb -","- C38 H49 N3 Nb -","- C152 H196 N12 Nb4 -","4","0.5","","Camp, Clément; Grant, Lauren N.; Bergman, Robert G.; Arnold, John","Photo-activation of d(0) niobium imido azides: en route to nitrido complexes.","Chemical communications (Cambridge, England)","2016","52","32","5538","5541","10.1039/c6cc02081j","","","0.71073","MoKα","","0.0426","0.0406","","","0.0969","0.0988","","","","","","1.097","","","","has coordinates","234016","2020-10-21","18:00:00",""
"7126173","12.6211","0.0004","12.9645","0.0004","17.2046","0.0005","90","","90","","90","","2815.12","0.15","100","","100","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C66 H44 F8 N6 Ru -","- C65.994 H43.994 F8 N6 Ru -","- C131.988 H87.988 F16 N12 Ru2 -","2","0.25","","Shing, Ka-Pan; Wan, Qingyun; Chang, Xiao-Yong; Che, Chi-Ming","The first crystallographically characterised ruthenium(vi) alkylimido porphyrin competent for aerobic epoxidation and hydrogen atom abstraction.","Chemical communications (Cambridge, England)","2020","56","32","4428","4431","10.1039/c9cc09972g","","x-ray","1.54178","CuKα","","0.0675","0.0606","","","0.1683","0.1787","","","","","","1.073","","","","has coordinates,has disorder","251556","2020-10-21","18:00:00",""
"7127128","12.8578","0.0004","14.8418","0.0003","14.8987","0.0005","90","","90","","90","","2843.16","0.14","100","0.1","100","0.1","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H68 I8 O41 Sm6 -","- H68 I8 O41 Sm6 -","- H136 I16 O82 Sm12 -","2","0.25","","Marks, Walker R.; Baumgardner, Douglas F.; Reinheimer, Eric W.; Gilbertson, John D.","Complete denitrification of nitrate and nitrite to N<sub>2</sub> gas by samarium(II) iodide.","Chemical communications (Cambridge, England)","2020","56","77","11441","11444","10.1039/d0cc04115g","","x-ray","0.71073","MoKα","","0.0449","0.0443","","","0.09","0.0915","","","","","","1.373","","","","has coordinates,has disorder","257240","2020-10-21","18:00:00",""
"7128275","28.4028","0.0006","25.8252","0.0006","6.40719","0.00018","90","","90","","90","","4699.7","0.2","123","","123","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C21 H14 F3 N4 O3 Rh S -","- C21 H14 F3 N4 O3 Rh S -","- C168 H112 F24 N32 O24 Rh8 S8 -","8","1","","Yatabe, Takeshi; Kamitakahara, Kazuki; Higashijima, Kaede; Ando, Tatsuya; Matsumoto, Takahiro; Yoon, Ki-Seok; Enomoto, Takao; Ogo, Seiji","Synthesis of acetic acid from CO<sub>2</sub>, CH<sub>3</sub>I and H<sub>2</sub> using a water-soluble electron storage catalyst.","Chemical communications (Cambridge, England)","2021","57","39","4772","4774","10.1039/d1cc01611c","","","0.71073","MoKα","","0.0578","0.0487","","","0.1377","0.144","","","","","","1.035","","","","has coordinates,has disorder","265876","2021-06-05","17:27:16",""
"7130706","11.683","0.005","20.206","0.013","11.397","0.006","90","","90","","90","","2690","3","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C32 H28 N4 O48 S Zn6 -","- C32 H6 N4 O49 S Zn6 -","- C64 H12 N8 O98 S2 Zn12 -","2","0.25","","Garai, Abhijit; Goswami, Anindita; Biradha, Kumar","In situ conversion of MOG to crystalline MOF: A case study on solvent-dependent gelation and crystallization","Chemical Communications","2022","","","","","10.1039/D2CC04724A","","","0.71073","MoKα","","0.0532","0.0397","","","0.1173","0.1237","","","","","","1.066","","","","has coordinates","277808","2022-09-13","21:52:26",""
"7132433","9.5876","0.0005","11.2736","0.0005","10.0616","0.0005","90","","90","","90","","1087.53","0.09","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C8 H30 B20 -","- C8 H30 B20 -","- C16 H60 B40 -","2","0.25","","Chen, Feijing; Guo, Wenjing; Ma, Yan-Na; Chen, Xuenian","9,9'-Bis-<i>o</i>-carboranes: synthesis and exploration of properties.","Chemical communications (Cambridge, England)","2024","60","5","614","617","10.1039/d3cc05041f","","x-ray","1.54184","CuKα","","0.0669","0.0603","","","0.175","0.1858","","","","","","1.042","","","","has coordinates,has disorder","289336","2024-02-04","11:06:44",""
"7133758","7.9767","0.0008","21.0642","0.0019","7.4827","0.0007","90","","90","","90","","1257.3","0.2","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","23mdw6d","guanidinium 1,5-naphthalenedisulfonate 2-fluoropropiophenone","","- C21 H27 F N6 O7 S2 -","- C21 H27 F N6 O7 S2 -","- C42 H54 F2 N12 O14 S4 -","2","0.25","","Dillon, Alexandra M.; Shtukenberg, Alexander G.; Demkiw, Krystyna M.; Woerpel, K. A.; Ward, Michael D.","Hydrogen-bonded frameworks for conformational analysis of reactive substrates.","Chemical communications (Cambridge, England)","2024","","","","","10.1039/d4cc03430a","","x-ray","0.71073","MoKα","","0.0994","0.0843","","","0.2051","0.215","","","","","","1.059","","","","has coordinates,has disorder","294898","2024-09-26","21:55:03",""
"7200516","20.2664","0.0017","5.8748","0.0005","13.1428","0.0011","90","","90","","90","","1564.8","0.2","291","2","291","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C31 H35 Cu2 N7 O S2 -","- C31 H35 Cu2 N7 O S2 -","- C62 H70 Cu4 N14 O2 S4 -","2","0.25","","Ren, Shi-Bin; Yang, Xiao-Li; Zhang, Jun; Li, Yi-Zhi; Zheng, You-Xuan; Du, Hong-Bin; You, Xiao-Zeng","An infinite photoluminescent coordination nanotube [CuSCN(L)]·(DMF)0.5","CrystEngComm","2009","11","2","246","","10.1039/b817229c","","","0.71073","MoKα","","0.0426","0.0372","","","0.0921","0.094","","","","","","1.089","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7201135","13.9873","0.0013","7.41528","0.00052","23.3232","0.0054","90","","90","","90","","2419.1","0.6","","","","","","","","","","","","7","P n n m","-P 2 2n","58","","","","?","- Ce8 Ch8 N2 O68 Oh8 Si36 Wo12.696 -","- Ce8 Ch8 N2 O68 Oh8 Si36 Wo12.696 -","","","","Ikeda, Takuji; Kayamori, Syunsuke; Mizukami, Fujio","Synthesis and crystal structure of layered silicate PLS-3 and PLS-4 as a topotactic zeolite precursor","Journal of Materials Chemistry","2009","19","31","5518","","10.1039/b905415d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7202058","13.882","0.005","8.601","0.005","11.59","0.005","90","","90","","90","","1383.8","1.1","120","2","120","2","","","","","","","Roberto Quesada","6","P n n m","-P 2 2n","58","","","","- C20 H24 N8 O4 Pt S4 -","- C20 H24 N8 O4 Pt S4 -","- C40 H48 N16 O8 Pt2 S8 -","2","0.25","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0559","0.0484","","","0.1581","0.1614","","","","","","1.276","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202736","41.046","0.0008","4.5649","0.0005","7.978","0.004","90","","90","0.002","90","","1494.8","0.8","295","2","295","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C30 H34 N6 O2 S2 -","- C30 H34 N6 O2 S2 -","- C60 H68 N12 O4 S4 -","2","0.25","","Lai, Long-Li; Wu, Chun-Han; Lu, Kuang-Lieh; Wen, Yu-Shen; Liu, Yi-Hung; Wang, Yu; Cheng, Kung-Lung; Soldatov, Dmitriy V.; Yu, Zhi; Yu, Kui","Polypseudorotaxane architecture of poly-bis[4-(N-benzyl- pyridinium)]piperazine-hexa-thiocyanato-di-cadmium(ii) with 2-D honeycomb-like [Cd(SCN)3]nn? anionic polymeric framework","CrystEngComm","2007","9","5","345","","10.1039/b701229b","","","0.71073","MoKα","","0.1038","0.0764","","","0.2074","0.2333","","","","","","1.115","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7204077","13.9001","0.0005","7.3319","0.0002","16.3165","0.0005","90","","90","","90","","1662.88","0.09","295","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C40.5 H26 Fe N11.5 -","- C40.5 H16 Fe N11.5 -","- C81 H32 Fe2 N23 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki","Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site","Journal of Materials Chemistry","2001","11","10","2493","","10.1039/b100623l","","","0.7107","MoKα","","","0.0505","","","","0.0577","","","","","","3.182","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204078","13.8706","0.0006","7.3498","0.0003","16.2958","0.0007","90","","90","","90","","1661.29","0.12","295","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C40.5 H26 Co N11.5 -","- C40.5 H16 Co N11.5 -","- C81 H32 Co2 N23 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki","Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site","Journal of Materials Chemistry","2001","11","10","2493","","10.1039/b100623l","","","0.7107","MoKα","","","0.0467","","","","0.046","","","","","","2.387","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204079","13.85","0.001","7.2494","0.0004","16.155","0.001","90","","90","","90","","1622.03","0.18","123","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C40.5 H26 Fe N11.5 -","- C41.5 H16 Fe N11.5 -","- C83 H32 Fe2 N23 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki","Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site","Journal of Materials Chemistry","2001","11","10","2493","","10.1039/b100623l","","","0.7107","MoKα","","","0.0512","","","","0.0534","","","","","","2.943","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204080","13.6682","0.0005","7.3102","0.0002","16.3705","0.0007","90","","90","","90","","1635.7","0.1","113","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C41.5 H30 Co N10.5 O -","- C40.5 H16 Co N11.5 O -","- C81 H32 Co2 N23 O2 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki","Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site","Journal of Materials Chemistry","2001","11","10","2493","","10.1039/b100623l","","","0.7107","MoKα","","","0.0432","","","","0.053","","","","","","1.343","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204322","4.274","0.004","11.114","0.003","37.426","0.004","90","","90","","90","","1777.8","1.7","293.2","","","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C20 H8 Au I4 N4 S8 Se4 -","- C20 H8 Au I4 N4 S8 Se4 -","- C40 H16 Au2 I8 N8 S16 Se8 -","2","0.25","","Imakubo, Tatsuro; Tajima, Naoya; Tamura, Masafumi; Kato, Reizo; Nishio, Yutaka; Kajita, Koji","A supramolecular superconductor θ-(DIETS)2[Au(CN)4]","Journal of Materials Chemistry","2002","12","2","159","","10.1039/b110303b","","","0.7107","MoKα","","","0","","","","0.0415","","","","","","1.167","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204601","7.3952","0.0015","14.099","0.003","18.761","0.004","90","","90","","90","","1956.1","0.7","210","2","210","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C20 H24 F4 N4 O72 Si36 -","- C24 H40 F1.6 O72 Si36 -","- C24 H40 F1.6 O72 Si36 -","1","0.125","","Villaescusa, Luis A.; Bull, Ivor; Wheatley, Paul S.; Lightfoot, Philip; Morris, Russell E.","The location of fluoride and organic guests in ?as-made? pure silica zeolites FER and CHA","Journal of Materials Chemistry","2003","13","8","1978","","10.1039/b300728f","","","0.6942","Synchrotron","","0.0539","0.0465","","","0.1281","0.1338","","","","","","1.03","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204627","32.323","0.003","17.0606","0.0014","20.7616","0.0017","90","","90","","90","","11449","1.7","200","2","200","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C79 H75 Cl19 Fe5 N18 O37 -","- C79 H48 Cl19 Fe5 N18 O37 -","- C316 H192 Cl76 Fe20 N72 O148 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1567","0.0787","","","0.2145","0.2617","","","","","","1.027","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204629","32.999","0.002","17.1473","0.0011","20.9802","0.0013","90","","90","","90","","11871.5","1.3","200","2","200","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C78.5 H80.5 Cl17.5 Fe2 N18 Ni3 O39 -","- C78.5 H48 Cl17.5 Fe2 N18 Ni3 O39 -","- C314 H192 Cl70 Fe8 N72 Ni12 O156 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1578","0.0854","","","0.2488","0.2994","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205024","10.9411","0.0007","13.449","0.001","7.714","0.001","90","","90","","90","","1135.09","0.18","173","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag5 I2 S3 Sb -","- Ag20 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0241","0.0214","","0.0565","0.0559","","","","2.31","2.25","2.25","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205025","10.9674","0.0008","13.52","0.001","7.7392","0.0005","90","","90","","90","","1147.56","0.14","298","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag11.999 I2 S3 Sb -","- Ag47.996 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0337","0.0199","","0.0434","0.0409","","","","1.22","1.09","1.09","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205026","11.0033","0.0008","13.569","0.001","7.746","0.0005","90","","90","","90","","1156.51","0.14","373","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag13.994 I2 S3 Sb -","- Ag55.976 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0435","0.0236","","0.0536","0.0503","","","","1.49","1.25","1.25","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205027","11.0243","0.0008","13.598","0.001","7.7442","0.0005","90","","90","","90","","1160.92","0.14","423","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag14.022 I2 S3 Sb -","- Ag56.088 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.056","0.0294","","0.0582","0.0542","","","","1.27","1.05","1.05","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205028","11.0359","0.0008","13.612","0.001","7.7424","0.0005","90","","90","","90","","1163.07","0.14","473","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag14.006 I2 S3 Sb -","- Ag56.024 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0612","0.0305","","0.0635","0.0581","","","","1.32","1.09","1.09","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205029","11.0602","0.0009","13.656","0.001","7.7527","0.0005","90","","90","","90","","1170.95","0.15","523","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag13.994 I2 S3 Sb -","- Ag55.976 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0676","0.0329","","0.0678","0.0633","","","","1.56","1.23","1.23","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205030","11.071","0.001","13.699","0.001","7.7633","0.0006","90","","90","","90","","1177.39","0.16","573","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag13.988 I3 S3 Sb -","- Ag55.952 I12 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0686","0.033","","0.0706","0.0648","","","","1.52","1.21","1.21","","","","","has coordinates","287941","2023-12-01","17:26:20",""
"7207915","18.377","0.0006","17.3043","0.0004","17.9565","0.0005","90","","90","","90","","5710.2","0.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C33 H24 N O15 Zn4 -","- C33 H24 N O15 Zn4 -","- C132 H96 N4 O60 Zn16 -","4","0.5","","Yao, Qingxia; Su, Jie; Cheung, Ocean; Liu, Qingling; Hedin, Niklas; Zou, Xiaodong","Interpenetrated metal‒organic frameworks and their uptake of CO2 at relatively low pressures","Journal of Materials Chemistry","2012","22","20","10345","","10.1039/c2jm15933c","","","0.71073","MoKα","","0.0738","0.0545","","","0.1828","0.1937","","","","","","1.086","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7208068","9.05","0.0003","19.4931","0.0007","12.0533","0.0004","90","","90","","90","","2126.35","0.13","150","2","150","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C4 H54 Fe Mo4 N7 O36 P4 -","- C4 H6 Fe Mo4 O26 P4 -","- C8 H12 Fe2 Mo8 O52 P8 -","2","0.25","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0945","0.0819","","","0.1934","0.1989","","","","","","1.133","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208069","19.34","0.003","8.9709","0.0015","12.18","0.002","90","","90","","90","","2113.2","0.6","103","2","103","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C4 H51.34 Cr Mo4 N4 Na O39.67 P4 -","- C4 H30 Cr Mo4 N4 Na O39.66 P4 -","- C8 H60 Cr2 Mo8 N8 Na2 O79.32 P8 -","2","0.25","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0509","0.049","","","0.1441","0.1459","","","","","","0.999","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7212878","16.387","0.004","11.486","0.003","15.506","0.004","90","","90","","90","","2918.6","1.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C36 H60 N24 O30 S2 -","- C36 H36 N24 O29 S2 -","- C72 H72 N48 O58 S4 -","2","0.25","","Liu, Li; Jiang, Xiao; Zhang, Jie","Anion-linked cucurbit[6]uril frameworks formed by microwave-assisted synthesis in ionic liquids","CrystEngComm","2010","12","11","3445","","10.1039/c0ce00265h","","","0.71073","MoKα","","0.1042","0.0798","","","0.218","0.2462","","","","","","0.942","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212879","15.9736","0.0019","11.594","0.0013","14.9519","0.0017","90","","90","","90","","2769.1","0.6","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C36 H58 B2 F8 N24 O22 -","- C36 H36 B2 F8 N24 O22 -","- C72 H72 B4 F16 N48 O44 -","2","0.25","","Liu, Li; Jiang, Xiao; Zhang, Jie","Anion-linked cucurbit[6]uril frameworks formed by microwave-assisted synthesis in ionic liquids","CrystEngComm","2010","12","11","3445","","10.1039/c0ce00265h","","","0.71073","MoKα","","0.1213","0.0672","","","0.1651","0.1921","","","","","","0.954","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7216316","8.649","0.003","18.159","0.007","3.9182","0.0014","90","","90","","90","","615.4","0.4","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","catena-(bis(mu-bromo)-bis(pyridine)-cadmium(ii)) (Compound 2)","catena-[bis(μ-bromo)-bis(pyridine)-cadmium(ii)] (Compound 2)","","- C10 H10 Br2 Cd N2 -","- C10 H10 Br2 Cd N2 -","- C20 H20 Br4 Cd2 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0461","0.0357","","","0.0816","0.0853","","","","","","1.111","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216550","28.2107","0.0014","23.9375","0.0012","26.1899","0.0013","90","","90","","90","","17685.9","1.5","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- Cu17 H290 Mo46 N19 Na O317 V18 -","- Cu17 Mo46 Na O310 V18 -","- Cu34 Mo92 Na2 O620 V36 -","2","0.25","","Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie","Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior","CrystEngComm","2014","16","33","7681","","10.1039/C4CE00831F","","","0.71073","MoKα","","0.1028","0.0657","","","0.1454","0.1569","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216835","11.9272","0.0015","13.954","0.003","20.185","0.002","90","","90","","90","","3359.4","0.9","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C14.7 H17.3 Cu0.5 N3.4 O3.9 -","- C10.5 H6.5 Cu0.5 N2 O2.5 -","- C84 H52 Cu4 N16 O20 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.2069","0.1268","","","0.3509","0.3829","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216838","10.0477","0.0003","15.2023","0.001","22.6589","0.0007","90","","90","","90","","3461.1","0.3","109","2","109","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C13.5 H16.5 Co0.5 N3 O4.5 -","- C10.5 H9.5 Co0.5 N2 O3.5 -","- C84 H76 Co4 N16 O28 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.0755","0.0574","","","0.1698","0.1791","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7221395","5.852","","14.466","","4.082","","90","","90","","90","","345.562","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Ga Te Cl","","- Cl Ga Te -","- Cl Ga Te -","- Cl4 Ga4 Te4 -","4","0.5","","Wilms, A.; Kniep, R.","Ga Te Cl - a tetrahedral layer structure with Ga-Te linking of the black phosphorus type","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","1658","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221466","4.1546","","8.9429","","11.6014","","90","","90","","90","","431.04","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C8 O4 Se2 -","- C8 O4 Se2 -","- C16 O8 Se4 -","2","0.25","","Beck, J.; Krieger-Beck, P.; Kelm, K.","The squaric acid derivatives C8 O4 S2 and C8 O4 Se2 - crystal structures, explosive thermal behavior and the preparation of carbon suboxide selenide O C3 Se by flash vacuum pyrolysis","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","123","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222533","11.0741","","18.6658","","12.07","","90","","90","","90","","2494.95","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","((Te I3) (As F6)) (S O2)0.5","","- As F6 I3 O S0.5 Te -","- As F6 I3 O1.02 S0.5 Te -","- As8 F48 I24 O8.16 S4 Te8 -","8","1","","Beck, J.; Steden, F.","Triiodotelluronium hexafluoroarsenate Te I3 (As F3). The crystal structure of the hemi (S O2) solvate and the structure relation to the unsolvated form","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","711","714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222875","13.58","","10.3","","4.37","","90","","90","","90","","611.249","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Ca1.65 Li1.85 Si4.0","","- Ca1.65 Li1.85 Si4 -","- Ca1.65 Li1.85 Si4 -","- Ca6.6 Li7.4 Si16 -","4","0.5","","Mueller, W.; Schaefer, H.; Weiss, A.","Neuartige Siliciumverbaende in der Phase Ca1.65 Li1.85 Si4.0","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","1371","1374","","","","","","","","","","","","","","","","","","","","","","has coordinates","166823","2020-10-21","18:00:00",""
"7222876","11.24","","10.5","","4.39","","90","","90","","90","","518.108","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Ca2 Li Si3 -","- Ca2 Li Si3 -","- Ca8 Li4 Si12 -","4","0.5","","Mueller, W.; Schaefer, H.; Weiss, A.","Die Struktur der Phasen Ca2 Li Si3 und Ca2 Li Ge3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1971","26","","5","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222877","11.38","","10.73","","4.43","","90","","90","","90","","540.936","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Ca2 Li Ge3","","- Ca2 Ge3 Li -","- Ca2 Ge3 Li -","- Ca8 Ge12 Li4 -","4","0.5","","Mueller, W.; Schaefer, H.; Weiss, A.","Die Struktur der Phasen Ca2 Li Si3 und Ca2 Li Ge3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1971","26","","5","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223671","12.902","","18.478","","4.161","","90","","90","","90","","991.996","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Bi3 Rb S5 -","- Bi3 Rb S5 -","- Bi12 Rb4 S20 -","4","0.5","","Schmitz, D.; Bronger, W.","Die Kristallstruktur von Rb Bi3 S5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1974","29","","438","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7223716","7.2201","","14.2836","","7.0331","","90","","90","","90","","725.317","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","((C H3)2 N H2)2 (Ti Cl6)","","- C4 H16 Cl6 N2 Ti -","- C4 H16 Cl6 N2 Ti -","- C8 H32 Cl12 N4 Ti2 -","2","0.25","","Rannabauer, S.; Schnick, W.","Synthese, Kristallstruktur und spektroskopische Charakterisierung von Bis(dimethylammonium)hexachlorotitanat (Me2 N H2)2 (Ti Cl6)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","410","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223866","17.256","0.004","23.227","0.006","25.426","0.006","90","","90","","90","","10191","4","100","2","100","2","","","","","","","synthesis as described","5","P n n m","-P 2 2n","58","","Poly{[diaquatris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')dimethylformamide(mu4-oxo)tetrazinc(II)]heptakisdimethylformamidetrihydrate}","","- C66 H88 N8 O25 Zn4 -","- C47.4 H24 N1.8 O16.8 Zn4 -","- C189.6 H96 N7.2 O67.2 Zn16 -","4","0.5","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0747","0.0711","","","0.1975","0.2018","","","","","","1.09","","","","has coordinates,has disorder","177755","2020-10-21","18:00:00",""
"7223964","13.314","0.0011","9.7055","0.0008","7.0691","0.0009","90","","90","","90","","913.46","0.16","300","2","300","2","","","","","","","","4","P n n m","-P 2 2n","58","uranyl acrylate","","","- C6 H6 O6 U -","- C6 H6 O6 U -","- C24 H24 O24 U4 -","4","0.5","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.049","0.032","","","0.0686","0.0788","","","","","","1.047","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7224112","11.2042","0.0013","14.7102","0.0017","9.5638","0.0011","90","","90","","90","","1576.3","0.3","296","2","296","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C8 H37 Cu4 N8 Na0 Nb3 O22 W3 -","- C8 H32 Cu4 N8 Nb3 O21 W3 -","- C16 H64 Cu8 N16 Nb6 O42 W6 -","2","0.25","","Jin, Lu; Li, Xin-Xiong; Zhao, Dan; Li, Hao-Hong; Zheng, Shou-Tian","A rare polyniobotungstate-based framework and its structural transformation in a single-crystal-to-single-crystal process induced by iodide ions","CrystEngComm","2016","18","10","1705","","10.1039/C5CE02443A","","","0.71073","MoKα","","0.0537","0.0506","","","0.1317","0.1525","","","","","","1.357","","","","has coordinates","177750","2020-10-21","18:00:00",""
"7227894","26.69813","0.00038","7.29357","0.00011","3.735946","0.000042","90","","90","","90","","727.481","0.017","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(4-cyanopyridine)Nickel","Dibromo-bis(4-cyanopyridine)Nickel","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C24 H16 Br4 N8 Ni2 -","2","0.25","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01613","1.481","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227896","26.8461","0.0015","7.31908","0.00032","3.7708","0.00011","90","","90","","90","","740.92","0.06","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(4-cyanopyridine)Cobalt","Dibromo-bis(4-cyanopyridine)Cobalt","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","0.25","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","0.00863","1.06","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7231385","12.402","","14.734","","20.85","","90","","90","","90","","3809.94","","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","tetra(isonicotinato)-(acetato)-di(aqua)-(?3-hydroxo)-tri-manganese(ii)","","- C26 H22 Mn3 N4 O12 -","- C26 H22 Mn3 N4 O12 -","- C104 H88 Mn12 N16 O48 -","4","0.5","","Zhou, Lei; Zhou, Baolei; Cui, Zheng; Qin, Bowen; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Charge control of the formation of two neutral/cationic metal‒organic frameworks based on neutral/cationic triangular clusters and isonicotinic acid: structure, gas adsorption and magnetism","CrystEngComm","2018","20","36","5402","","10.1039/C8CE00997J","","","0.71073","MoKα","","0.049","0.0437","","","0.1258","0.1285","","","","","","1.125","","","","has coordinates,has disorder","229116","2020-10-21","18:00:00",""
"7231461","15.6409","0.0008","5.2384","0.0003","11.0229","0.0005","90","","90","","90","","903.14","0.08","191","2","191","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0328","0.0309","","","0.0748","0.0758","","","","","","1.085","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231462","15.6537","0.0005","5.2381","0.0002","11.0524","0.0003","90","","90","","90","","906.25","0.05","211","2","211","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0185","0.0166","","","0.0406","0.0415","","","","","","1.131","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231463","15.6966","0.0009","5.2398","0.0003","11.1314","0.0006","90","","90","","90","","915.52","0.09","276","2","276","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0208","0.0182","","","0.0448","0.0461","","","","","","1.115","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231468","15.686","0.0007","5.2395","0.0002","11.1083","0.0005","90","","90","","90","","912.96","0.07","256","2","256","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.02","0.0178","","","0.0422","0.0431","","","","","","1.12","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231469","15.6785","0.0006","5.2396","0.0002","11.086","0.0004","90","","90","","90","","910.7","0.06","231","2","231","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0191","0.0174","","","0.0428","0.0435","","","","","","1.125","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231633","20.7409","0.0005","17.1057","0.0003","11.6678","0.0002","90","","90","","90","","4139.59","0.14","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C39 H46 Ag N11 O2 S4 -","- C39 H46 Ag N11 O2 S4 -","- C156 H184 Ag4 N44 O8 S16 -","4","0.5","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0769","0.0682","","","0.1866","0.1931","","","","","","1.098","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231800","27.019","0.0016","7.1242","0.0009","3.7597","0.0005","90","","90","","90","","723.7","0.14","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(3-cyanopyridine)cobaltat","alpha-Catena-dibromo-di(3-cyanopyridine)cobaltat","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0078","1.417","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231802","27.30464","0.00039","7.221904","0.000094","3.829715","0.000043","90","","90","","90","","755.187","0.017","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-di(3-cyanopyridine)manganat","Catena-dibromo-di(3-cyanopyridine)manganat","","- C12 H8 Br2 Mn N4 -","- C12 H8 Br2 Mn N4 -","- C24 H16 Br4 Mn2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01039","1.208","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231806","27.128","0.005","7.1722","0.0014","3.7881","0.0006","90","","90","","90","","737","0.2","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(3-cyanopyridine)iron","Catena-dibromo-bis(3-cyanopyridine)iron","","- C12 H8 Br2 Fe N4 -","- C12 H8 Br2 Fe N4 -","- C24 H16 Br4 Fe2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01191","1.127","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231991","17.1291","0.0004","21.8862","0.0005","26.2493","0.0007","90","","90","","90","","9840.6","0.4","258","","258","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C42 H24 Co4 O13 -","- C42.438 H24 Co4 O13 -","- C169.752 H96 Co16 O52 -","4","0.5","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.7","Synchrotron","","0.1212","0.1119","","","0.3473","0.3705","","","","","","1.142","","","","has coordinates,has disorder","223544","2020-10-21","18:00:00",""
"7234467","12.4691","0.0015","62.421","0.007","4.6305","0.0005","90","","90","","90","","3604.1","0.7","90","2","90","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Ba6 Sb7 Se16.11 -","- Ba6 Sb7.001 Se16.116 -","- Ba24 Sb28.004 Se64.464 -","4","0.5","","Jian Wang; Kathleen Lee; Kirill Kovnir","Synthesis, crystal structure, and thermoelectric properties of two new barium antimony selenides: Ba2Sb2Se5 and Ba6Sb7Se16.11","Journal of Materials Chemistry C","2015","3","","9811","9818","10.1039/C5TC01721A","","","0.71073","MoKα","","0.0511","0.0355","","","0.0606","0.0655","","","","","","1.069","","","","has coordinates","219159","2020-10-21","18:00:00",""
"7236342","34.9115","0.0008","41.3131","0.0009","28.971","0.0006","90","","90","","90","","41784.9","1.6","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","JLU-32","","- C123 H185 Cu7 I4 N25 O34 -","- C63 H45 Cu7 I4 N5 O13.75 -","- C504 H360 Cu56 I32 N40 O110 -","8","1","","Yao, Shuo; Sun, Xiaodong; Liu, Bing; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two heterovalent copper‒organic frameworks with multiple secondary building units: high performance for gas adsorption and separation and I2 sorption and release","Journal of Materials Chemistry A","2016","4","39","15081","","10.1039/C6TA05142A","","","0.71073","MoKα","","0.1302","0.0499","","","0.1173","0.1332","","","","","","0.836","","","","has coordinates,has disorder","235423","2020-10-21","18:00:00",""
"7237406","13.8796","0.0009","7.367","0.0005","8.0696","0.0006","90","","90","","90","","825.12","0.1","345","2","345","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C4 H16 Bi Br6 N3 -","- C4 H16 Bi Br6 N3 -","- C8 H32 Bi2 Br12 N6 -","2","0.25","","Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Sun, Zhihua; Zhang, Weichuan; Peng, Yu; Luo, Junhua","Above-room-temperature switching of quadratic nonlinear optical properties in a Bi‒halide organic‒inorganic hybrid","Journal of Materials Chemistry C","2018","6","35","9532","","10.1039/C8TC02791A","","","0.71073","MoKα","","0.0857","0.0694","","","0.2051","0.2241","","","","","","1.081","","","","has coordinates","237653","2020-10-21","18:00:00",""
"7238551","20.982","0.002","42.307","0.004","12.4442","0.001","90","","90","","90","","11046.5","1.7","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C96 H192 Cl6 I38 N48 S24 -","- C96 H192 Cl6 I38 N48 S24 -","- C192 H384 Cl12 I76 N96 S48 -","2","0.25","","Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.","Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine","RSC Advances","2012","2","7","2856","","10.1039/c2ra00013j","","","0.7107","MoKα","","0.0581","0.0437","","","0.0856","0.089","","","","","","1.109","","","","has coordinates","244228","2020-10-21","18:00:00",""
"7244857","7.4634","0.0005","10.6336","0.0009","10.3869","0.0007","90","","90","","90","","824.33","0.1","290","2","290","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ca1.62 In0.69 Na6.23 O18 Si6 -","- Ca1.62 In0.683 Na6.242 O18 Si6 -","- Ca3.24 In1.366 Na12.484 O36 Si12 -","2","0.25","","Ferdov, Stanislav; Shivachev, Boris; Titorenkova, Rositsa; Petrova, Nadia; Tarassov, Mihail; Nikolova, Rositsa","Indium silicate with an imandrite-type structure","RSC Advances","2022","12","20","12531","12536","10.1039/D2RA00864E","","x-ray","0.71073","MoKα","","0.0457","0.0394","","","0.0737","0.0761","","","","","","1.143","","","","has coordinates","274712","2022-04-27","01:09:15",""
"7244858","7.459427","","10.620756","","10.375741","","90","","90","","90","","822.016","","300","","300","","","","100","","","","","5","P n n m","-P 2 2n","58","MS-2","","","- Ca3.16 In1.36 Na12.53 O36 Si12 -","- Ca3.1554 In1.3606 Na12.5292 O36 Si12 -","- Ca3.1554 In1.3606 Na12.5292 O36 Si12 -","1","0.125","","Ferdov, Stanislav; Shivachev, Boris; Titorenkova, Rositsa; Petrova, Nadia; Tarassov, Mihail; Nikolova, Rositsa","Indium silicate with an imandrite-type structure","RSC Advances","2022","12","20","12531","12536","10.1039/D2RA00864E","powder diffraction","x-ray","1.54051","CuKα","","0.0569","","","","0.15318","","0.1091","","1.32","","","","","","","has coordinates","274712","2022-04-27","01:09:15",""
"7244866","12.3766","0.0005","21.5176","0.0008","8.0757","0.0003","90","","90","","90","","2150.68","0.14","292.99","0.1","292.99","0.1","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C6 H14 Br6 F7 N3 Sb -","- C6 H17 Br6 F7 N3 Sb -","- C24 H68 Br24 F28 N12 Sb4 -","4","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","x-ray","0.71073","MoKα","","0.0554","0.0487","","","0.1486","0.1529","","","","","","1.111","","","","has coordinates,has disorder","274726","2022-04-27","22:45:40",""
"7244867","12.3891","0.0005","21.5246","0.0009","8.0726","0.0003","90","","90","","90","","2152.72","0.15","273","","273","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C24 H72 Br24 F24 N12 Sb4 -","- C24 H72 Br24 F24 N12 Sb4 -","- C24 H72 Br24 F24 N12 Sb4 -","1","0.125","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","","0.71073","MoKα","","0.0707","0.0484","","","0.1401","0.1516","","","","","","1.045","","","","has coordinates,has disorder","274726","2022-04-27","22:45:40",""
"7247332","17.768","0.004","6.4114","0.0012","6.5376","0.0013","90","","90","","90","","744.7","0.3","170","","170","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C6 H16 Fe N6 O12 -","- C6 H16 Fe N6 O12 -","- C12 H32 Fe2 N12 O24 -","2","0.25","","Liu, Wei; Xu, Yuangang; Zhang, Yulong; Zheng, Hanyue; Gou, Xiaodong; Xiao, Fei","Design, preparation, and combustion performance of energetic catalysts based on transition metal ions (Cu2+, Co2+, Fe2+) and 3-aminofurazan-4-carboxylic acid","RSC Advances","2023","13","38","26563","26573","10.1039/D3RA03585A","","","0.71073","MoKα","","0.0625","0.0401","","","0.0933","0.1026","","","","","","1.033","","","","has coordinates","286217","2023-09-06","01:08:45",""
"7247334","6.4342","0.0007","17.7202","0.0019","6.537","0.0007","90","","90","","90","","745.32","0.14","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C6 H16 Co N6 O12 -","- C6 H16 Co N6 O12 -","- C12 H32 Co2 N12 O24 -","2","0.25","","Liu, Wei; Xu, Yuangang; Zhang, Yulong; Zheng, Hanyue; Gou, Xiaodong; Xiao, Fei","Design, preparation, and combustion performance of energetic catalysts based on transition metal ions (Cu2+, Co2+, Fe2+) and 3-aminofurazan-4-carboxylic acid","RSC Advances","2023","13","38","26563","26573","10.1039/D3RA03585A","","","0.71073","MoKα","","0.0386","0.0376","","","0.1019","0.104","","","","","","1.028","","","","has coordinates","286217","2023-09-06","01:08:46",""
"7247458","11.4647","0.0004","15.947","0.0006","13.4871","0.0003","90","","90","","90","","2465.81","0.14","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C9 H11 Mn N4 O6.5 -","- C9 H11 Mn N4 O6.5 -","- C72 H88 Mn8 N32 O52 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0639","0.0396","","","0.0759","0.086","","","","","","1.032","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7248397","4.4917","0.0006","5.4314","0.0008","8.3789","0.0012","90","","90","","90","","204.41","0.05","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- B4 Co1.76 Ni4.24 O12 -","- B4 Co1.76 Ni4.24 O12 -","- B4 Co1.76 Ni4.24 O12 -","1","0.125","","Sofronova, Svetlana; Moshkina, Evgeniya; Chernyshev, Artem; Vasiliev, Aleksandr; Maximov, Nikolai G.; Aleksandrovsky, Aleksandr; Andryushchenko, Tatyana; Shabanov, Aleksandr","Crystal growth and cation order of Ni3−xCoxB2O6 oxyborates","CrystEngComm","2024","26","19","2536","2543","10.1039/D4CE00091A","","","0.71073","MoKα","","0.0321","0.0288","","","0.0783","0.0838","","","","","","1.164","","","","has coordinates","292954","2024-07-05","15:23:33",""
"7249075","29.618","0.002","15.2128","0.0013","24.2347","0.0011","90","","90","","90","","10919.5","1.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C120 H60 Cu9 N40 O22 -","- C120 H60 Cu9 N40 O21.998 -","- C240 H120 Cu18 N80 O43.996 -","2","0.25","","Chen, Xi; Chen, Zi-tong; Zhu, Feng; Chen, Yuan; Liu, Ao-gang; Yin, Xue; Chen, Zi-ke; Li, Bao","Enhanced organic dye adsorption and photocatalytic activity through a metal–organic framework featuring heptanuclear/binuclear clusters and cage cavities","CrystEngComm","2024","26","33","4489","4497","10.1039/D4CE00484A","","","0.71","MoKα","","0.1321","0.0952","","","0.2646","0.3274","","","","","","1.027","","","","has coordinates,has disorder","294514","2024-09-06","00:15:14",""
"7700043","18.4362","0.0007","33.5056","0.001","25.5225","0.0009","90","","90","","90","","15765.7","0.9","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C66 H27 Cl0.5 Cu6 N3 O35 -","- C66 H27 Cl0.5 Cu6 N3 O35 -","- C264 H108 Cl2 Cu24 N12 O140 -","4","0.5","","Xu, Ming-Ming; Kong, Xiang-Jing; He, Tao; Wu, Xue-Qian; Xie, Lin-Hua; Li, Jian-Rong","Reaction duration-dependent formation of two Cu(ii)-MOFs with selective adsorption properties of C<sub>3</sub>H<sub>4</sub> over C<sub>3</sub>H<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9225","9233","10.1039/c9dt01677e","","","0.71073","MoKα","","0.1108","0.0567","","","0.1324","0.1537","","","","","","0.918","","","","has coordinates,has disorder","224205","2020-10-21","18:00:00",""
"7701149","26.499","0.005","8.499","0.0017","9.805","0.002","90","","90","","90","","2208.2","0.8","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H24 Br6 N4 Pb -","- C8 H24 Br6 N4 Pb -","- C32 H96 Br24 N16 Pb4 -","4","0.5","","Jung, Mi-Hee; Ko, Kyoung Chul; Lee, Woo Ram","Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15074","15090","10.1039/c9dt03469b","","","0.61","synchrotron","","0.1039","0.073","","","0.2521","0.2687","","","","","","1.462","","","","has coordinates","224251","2020-10-21","18:00:00",""
"7701229","15.7544","0.0002","20.0444","0.0002","42.0915","0.0005","90","","90","","90","","13292","0.3","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","UHM-70","","","- C110 H91 Cd4 N4 O25 P3 -","- C110 H91 Cd4 N4 O25 P3 -","- C440 H364 Cd16 N16 O100 P12 -","4","0.5","","Stein, Timo; Hoffmann, Frank; Fröba, Michael","A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15127","15135","10.1039/c9dt03044a","","x-ray","1.54184","CuKα","","0.0839","0.077","","","0.2081","0.2141","","","","","","1.049","","","","has coordinates,has disorder","224262","2020-10-21","18:00:00",""
"7701584","19.3122","0.0008","5.5525","0.0002","7.68","0.0003","90","","90","","90","","823.53","0.06","298","2","298","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H Nd3 O10 Ta2 -","- H Nd3 O10 Ta2 -","- H4 Nd12 O40 Ta8 -","4","0.5","","Sanjeewa, Liurukara D.; Fulle, Kyle; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal synthesis and structural characterization of several complex rare earth tantalates: Ln<sub>2</sub>TaO<sub>5</sub>(OH) (Ln = La, Pr) and Ln<sub>3</sub>Ta<sub>2</sub>O<sub>9</sub>(OH) (Ln = Pr, Nd).","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7704","7713","10.1039/c9dt00059c","","","0.71073","MoKα","","0.0237","0.0214","","","0.0501","0.0509","","","","","","1.176","","","","has coordinates","223308","2020-10-21","18:00:00",""
"7701587","19.3603","0.001","5.5779","0.0003","7.7079","0.0003","90","","90","","90","","832.37","0.07","298","2","298","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H O10 Pr3 Ta2 -","- H O10 Pr3 Ta2 -","- H4 O40 Pr12 Ta8 -","4","0.5","","Sanjeewa, Liurukara D.; Fulle, Kyle; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal synthesis and structural characterization of several complex rare earth tantalates: Ln<sub>2</sub>TaO<sub>5</sub>(OH) (Ln = La, Pr) and Ln<sub>3</sub>Ta<sub>2</sub>O<sub>9</sub>(OH) (Ln = Pr, Nd).","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7704","7713","10.1039/c9dt00059c","","","0.71073","MoKα","","0.0263","0.0208","","","0.0434","0.0452","","","","","","1.047","","","","has coordinates","223308","2020-10-21","18:00:00",""
"7701658","12.5497","0.0004","18.5385","0.0007","15.6808","0.0005","90","","90","","90","","3648.2","0.2","130","2","130","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Cs5.37 O65.6 Ru Sb W17 -","- Cs5.36 O65.6 Ru Sb W17 -","- Cs10.72 O131.2 Ru2 Sb2 W34 -","2","0.25","","Mukhacheva, Anna A.; Shmakova, Alexandra A.; Volchek, Victoria V.; Romanova, Tamara E.; Benassi, Enrico; Gushchin, Artem L.; Yanshole, Vadim; Sheven, Dmitri G.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Reactions of [Ru(NO)Cl<sub>5</sub>]<sup>2-</sup> with pseudotrilacunary {XW<sub>9</sub>O<sub>33</sub>}<sup>9-</sup> (X = As<sup>III</sup>, Sb<sup>III</sup>) anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15989","15999","10.1039/c9dt03328a","","x-ray","0.71073","MoKα","","0.0688","0.0549","","","0.155","0.1641","","","","","","1.065","","","","has coordinates","223328","2020-10-21","18:00:00",""
"7701747","10.6027","0.0003","12.6481","0.0004","20.3238","0.0005","90","","90","","90","","2725.5","0.13","","","298","","","","","","","","","3","P n n m","-P 2 2n","58","","","CAU-41","- C16 Ce6 O42.52 -","- C16 Ce6 O42.52 -","- C32 Ce12 O85.04 -","2","0.25","","Jacobsen, Jannick; Achenbach, Bastian; Reinsch, Helge; Smolders, Simon; Lange, Florian-David; Friedrichs, Gernot; De Vos, Dirk; Stock, Norbert","The first water-based synthesis of Ce(iv)-MOFs with saturated chiral and achiral C<sub>4</sub>-dicarboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8433","8441","10.1039/c9dt01542f","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","223350","2020-10-21","18:00:00",""
"7701748","10.6094","0.0003","12.5145","0.0004","20.4034","0.0006","90","","90","","90","","2708.99","0.14","","","298","","","","","","","","","4","P n n m","-P 2 2n","58","","","CAU-44","- C32 Ce12 N2.48 O83.52 -","- C32 Ce12 N2.48 O83.52 -","- C32 Ce12 N2.48 O83.52 -","1","0.125","","Jacobsen, Jannick; Achenbach, Bastian; Reinsch, Helge; Smolders, Simon; Lange, Florian-David; Friedrichs, Gernot; De Vos, Dirk; Stock, Norbert","The first water-based synthesis of Ce(iv)-MOFs with saturated chiral and achiral C<sub>4</sub>-dicarboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8433","8441","10.1039/c9dt01542f","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","223350","2020-10-21","18:00:00",""
"7707169","14.4585","0.0004","20.3696","0.0006","22.7805","0.0007","90","","90","","90","","6709.2","0.3","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","TbPCF","","- C96 H90 N4 O49 P6 Tb7 -","- C98.0012 H88.798 N4 O47.8004 P6 Tb6.5 -","- C196.002 H177.596 N8 O95.6008 P12 Tb13 -","2","0.25","","Jing, Huiru; Dan, Wenyan; Zhu, Jiaxing; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Chen, Zhenxia; Zhou, Yaming","Multimetal lanthanide phosphonocarboxylate frameworks: structures, colour tuning and near-infrared emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7380","7387","10.1039/d1dt01052b","","Helios Multi--layer Optic","1.34139","","","0.0837","0.0562","","","0.1531","0.1703","","","","","","1.031","","","","has coordinates,has disorder","266097","2021-06-05","18:59:30",""
"7707170","14.4962","0.0006","20.3758","0.0008","22.8688","0.0011","90","","90","","90","","6754.8","0.5","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","GdPCF","","- C96 H76 Gd7 N4 O49 P6 -","- C98.002 H70 Gd6.5 N4 O48 P6 -","- C196.004 H140 Gd13 N8 O96 P12 -","2","0.25","","Jing, Huiru; Dan, Wenyan; Zhu, Jiaxing; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Chen, Zhenxia; Zhou, Yaming","Multimetal lanthanide phosphonocarboxylate frameworks: structures, colour tuning and near-infrared emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7380","7387","10.1039/d1dt01052b","","","1.34139","GaKα","","0.0789","0.0567","","","0.1571","0.1742","","","","","","1.048","","","","has coordinates,has disorder","266097","2021-06-05","18:59:32",""
"7707171","14.5138","0.0005","20.4301","0.0008","22.9139","0.0009","90","","90","","90","","6794.4","0.4","172","2","172","2","","","","","","","","6","P n n m","-P 2 2n","58","","EuPCF","","- C96 H70 Eu7 N4 O49 P6 -","- C96 H70 Eu6.5 N4 O47.818 P6 -","- C192 H140 Eu13 N8 O95.636 P12 -","2","0.25","","Jing, Huiru; Dan, Wenyan; Zhu, Jiaxing; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Chen, Zhenxia; Zhou, Yaming","Multimetal lanthanide phosphonocarboxylate frameworks: structures, colour tuning and near-infrared emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7380","7387","10.1039/d1dt01052b","","","1.34139","GaKα","","0.0617","0.055","","","0.1519","0.1585","","","","","","1.109","","","","has coordinates,has disorder","266097","2021-06-05","18:59:32",""
"7712672","18.348","0.004","19.217","0.004","10.939","0.002","90","","90","","90","","3857","1.4","100","2","100","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C50 H70 Bi2 N4 -","- C50 H70 Bi2 N4 -","- C100 H140 Bi4 N8 -","2","0.25","","Guo, Zhifang; Deacon, Glen B.; Junk, Peter Courtney","Never a dull moment with praseodymium metal","Dalton Transactions","2023","","","","","10.1039/D3DT00534H","","","0.71073","MoKα","","0.0877","0.0839","","","0.2071","0.2102","","","","","","1.12","","","","has coordinates","282060","2023-03-24","23:56:57",""
"7712869","12.398","0.003","7.007","0.0014","11.482","0.002","90","","90","","90","","997.5","0.4","100","2","100","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Cd3 K2 O23 U6 -","- Cd3 K2 O23 U6 -","- Cd6 K4 O46 U12 -","2","0.25","","Ablott, Timothy; Lu, Kim; Wei, Tao; Zhang, Yingjie","Exploring the influence of pH on the structural intricacies of uranium oxide hydrates containing both Cd(II) and K(I) ions","Dalton Transactions","2023","","","","","10.1039/D3DT00630A","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.03","0.0294","","","0.0814","0.0822","","","","","","1.081","","","","has coordinates","282838","2023-04-25","22:58:09",""
"7712878","12.398","0.003","7.007","0.0014","11.482","0.002","90","","90","","90","","997.5","0.4","100","2","100","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Cd3 K2 O23 U6 -","- Cd3 K2 O23 U6 -","- Cd6 K4 O46 U12 -","2","0.25","","Liu, Qi; Shen, Daozhen; Sha, Yanyong; Chen, Chen; Chen, Xiaojuan; Jiang, Qingyan; Liu, Hong-Jiang; Liu, Wenlong","A one-dimensional cobalt-based coordination polymer as a cathode material of lithium-ion batteries","Dalton Transactions","2023","","","","","10.1039/D3DT00398A","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.03","0.0294","","","0.0814","0.0822","","","","","","1.081","","","","has coordinates","282865","2023-04-26","23:00:36",""
"7712947","31.786","0.003","13.9537","0.0015","24.406","0.002","90","","90","","90","","10824.8","1.8","150","2","150.03","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C132 H216 N40 O56 Zr6 -","- C60 H48 N16 O32 Zr6 -","- C120 H96 N32 O64 Zr12 -","2","0.25","","Zhu, Yi-Jie; Wang, Jun-Jie; Li, Jun-Yu; Zhang, Teng","A Metal–Organic Framework-Supported Dinuclear Iron Catalyst for Hydroboration of Carbonyl Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT01109G","","","0.71073","MoKα","","0.1009","0.0688","","","0.1902","0.2117","","","","","","0.99","","","","has coordinates","283003","2023-05-04","22:56:57",""
"7714597","7.4129","0.0003","22.8345","0.0009","26.8477","0.001","90","","90","","90","","4544.5","0.3","100","2","100","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C68 H66 Cu4 I4 K N13 O24 Sr4 -","- C68 H62 Cu4 I4 K N13 O22 Sr4 -","- C136 H124 Cu8 I8 K2 N26 O44 Sr8 -","2","0.25","","Jiang, Jiang; Li, Zi-Wei; Zhang, Zhi-Zhuan; Tan, Bin; Wu, Zhao-Feng; Huang, Xiao-Ying","The {Cu<sub>2</sub>I<sub>2</sub>} cluster bearing metal organic frameworks: crystal structures and fluorescence detecting performances towards cysteine and explosive molecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","706","714","10.1039/d3dt03363e","","","1.54178","CuKα","","0.056","0.0437","","","0.1139","0.124","","","","","","1.046","","","","has coordinates,has disorder","289520","2024-02-04","12:01:16",""
"7715293","17.523","0.0013","7.3379","0.0005","4.9433","0.0004","90","","90","","90","","635.62","0.08","293","","293","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ca16.25 Cr4 F2 Li1.51 N16 -","- Ca16.246 Cr4 F2 Li1.508 N16 -","- Ca16.246 Cr4 F2 Li1.508 N16 -","1","0.125","","Gloriozova, Natalia; Prots, Yurii; Krnel, Mitja; Burkhardt, Ulrich; Schmidt, Marcus; Ormeci, Alim; Jach, Franziska; Höhn, Peter; Grin, Yuri","Nitridochromate(IV) fluoride - LiCa<sub>8</sub>[CrN<sub>3</sub>]<sub>2</sub>N<sub>2</sub>F.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5827","5835","10.1039/d4dt00283k","","x-ray","0.71073","MoKα","","0.0358","0.0302","","","0.0699","0.0729","","","","","","1.107","","","","has coordinates","290934","2024-04-04","23:25:29",""
"7715425","15.901","0.002","11.616","0.002","15.297","0.003","90","","90","","90","","2825.4","0.8","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C36 H54 Cr2 N24 O27 -","- C36 H54 Cr2 N24 O27 -","- C72 H108 Cr4 N48 O54 -","2","0.25","","Xu, Jing; Li, Bin; Zhang, Xiu-Du; Wu, Dong; Zhao, Jiang-Lin; Chen, Kai","Selective removal of Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in aqueous solution by nonporous pure crystals of cucurbit[6]uril.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6168","6172","10.1039/d4dt00611a","","","1.34139","GaKα","","0.174","0.1063","","","0.2534","0.285","","","","","","1.115","","","","has coordinates,has disorder","290951","2024-04-04","23:29:01",""
"7715921","19.6668","0.0002","13.8232","0.0001","13.5182","0.0001","90","","90","","90","","3675.03","0.05","123","0.1","123","0.1","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C30 H35 Co4 N5 O12 -","- C29.75 H34.09 Co4 N5 O12 -","- C119 H136.36 Co16 N20 O48 -","4","0.5","","Uhlig, Felix; Stammler, Michael B.; Meurer, Florian; Shenderovich, Ilya G.; Blahut, Jan; Wisser, Florian M.","Monitoring structure and coordination chemistry of Co<sub>4</sub>O<sub>4</sub>-based oxygen evolution catalysts by nitrogen-14/-15 and cobalt-59 NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8541","8545","10.1039/d4dt01273a","","x-ray","1.54184","CuKα","","0.0353","0.0322","","","0.0898","0.0918","","","","","","1.0566","","","","has coordinates,has disorder","293097","2024-07-05","16:37:43",""
"7717359","23.4925","0.0019","9.8772","0.0009","20.6824","0.0015","90","","90","","90","","4799.1","0.7","153","","153","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C45.4 H58 F9 Mo N3 O4.6 -","- C43 H52 F9 Mo N3 O4 -","- C172 H208 F36 Mo4 N12 O16 -","4","0.5","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.0726","0.0543","","","0.1547","0.1706","","","","","","1.057","","","","has coordinates,has disorder","295730","2024-11-02","23:49:01",""
"8100086","10.9677","0.0016","11.687","0.0017","4.5482","0.0007","90","","90","","90","","582.99","0.15","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Eu2 Ge3 Li -","- Eu2 Ge3 Li -","- Eu8 Ge12 Li4 -","4","0.5","","Xie, Qin-Xing; Nesper, Reinhard","Crystal structure of dieuropium lithium trigermanide, Eu~2~LiGe~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","79","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100389","12.733","0.006","15.315","0.009","16.26","0.005","90","","90","","90","","3170.8","2.1","293","","293","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C10 H11 Cl Fe N6 O6.5 -","- C11 H12 Cl Fe N6 O6.5 -","- C88 H96 Cl8 Fe8 N48 O52 -","8","1","","Moubaraki, B.; Murray, K. S.; Tiekink, E. R. T.","Crystal structure of μ~2~-oxo-bis-μ~2~-formato-bis-(tris (pyrazolyl)methane)diiron(III) perchlorate, C~22~H~22~Cl~2~Fe~2~N~12~O~13~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","349","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101223","12.59","0.001","26.183","0.002","4.1271","0.0004","90","","90","","90","","1360.5","0.2","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","Trirubidium heptadysprosium(III) dodekaselenide","","","- Dy7 Rb3 Se12 -","- Dy7 Rb3.04 Se12 -","- Dy14 Rb6.08 Se24 -","2","0.25","","Folchnandt, Matthias; Schleid, Thomas","Crystal structure of trirubidium dodekaselenoheptadysprosate(III), Rb~3~Dy~7~Se~12~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","9","10","","","","","","","","0.0536","","","0.1192","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101430","11.941","0.002","19.505","0.005","3.392","0.001","90","","90","","90","","790.1","0.6","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Ni2 Se8 Ta11 -","- Ni2 Se8 Ta11 -","- Ni4 Se16 Ta22 -","2","0.25","","Conrad, M.; Harbrecht, B.","Crystal structure of dinickel undecatantalum octaselenide, Ni~2~Ta~11~Se~8~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","7","8","","","","","","","","0.034","","","0.059","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102390","8.837","0.0001","10.4968","0.0001","10.6542","0.0001","90","","90","","90","","988.286","0.017","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C12 H14 Cl6 N2 Sn -","- C12 H16 Cl6 N2 Sn -","- C24 H32 Cl12 N4 Sn2 -","2","0.25","","Zhi Liu; Hongxia Dai; Jiandong Fan; Wentao Yu; Xutang Tao; Minhua Jiang","Crystal structure of bis(4-methylpyridinium) hexachlorotin(IV), (C6H8N)2SnCl6","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","79","","","","","0.71073","MoKα","","0.0219","0.0184","","","0.0538","0.0591","","","","","","0.73","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103031","9.8002","0.0006","16.6223","0.0009","6.3008","0.0004","90","","90","","90","","1026.41","0.11","294","2","294","2","","","","","","","","5","P n n m","-P 2 2n","58","","Ammonium Tetrairon Tris(phosphate(V))","","- Fe4 H4 N O12 P3 -","- Fe4 H4 N O12 P3 -","- Fe16 H16 N4 O48 P12 -","4","0.5","","Kazumasa Sugiyama; Makoto Kimiyama","Crystal structure of ammonium tetrairon trisphosphate(V), [NH4][Fe4(PO4)3]","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","369","","","","","0.71069","MoKα","","0.0465","0.0301","","","0.0577","0.0609","","","","","","1.041","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103464","37.384","","12.568","","6.2","","90","","90","","90","","2913.02","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","Mg1.2456 Mn1.567 Sb0.1875 O2 B O3","","- B Mg1.2456 Mn1.567 O5 Sb0.1875 -","- B Mg1.24563 Mn1.56687 O5 Sb0.1875 -","- B32 Mg39.86 Mn50.14 O160 Sb6 -","32","4","","Thomasson, R.; Sotofte, I.; Sjoevall, R.; Bovin, J.O.; Norrestam, R.; Carlsson, A.","The crystal structure of a blatterite mineral, Mg1.33 Mn1.44 Fe0.05Sb0.17 O2 B O3, a combined single crystal X-ray and HREM study","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","440","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103520","7.81","","7.915","","5.57","","90","","90","","90","","344.316","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","Al1.920 Mn0.023 Fe0.057 (O (Si O4))","","- Al1.92 Fe0.057 Mn0.023 O5 Si -","- Al1.92 Fe0.057 Mn0.023 O5 Si -","- Al7.68 Fe0.228 Mn0.092 O20 Si4 -","4","0.5","","Abs-Wurmbach, I.; Tillmanns, E.; Langer, K.; Seifert, F.","The crystal chemistry of (Mn(3+),Fe(3+))-substituted Andalusites (Viridines and Kanonaite), (Al(1-x-y) Mn(3+)x Fe(3+)y (O (Si O4)): crystal structure, Moessbauer and polarized optical absorption spectra","Zeitschrift fuer Kristallographie (149,1979-)","1981","155","","81","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103521","7.842","","7.94","","5.582","","90","","90","","90","","347.566","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","Al1.756 Mn0.182 Fe0.062 (O (Si O4))","","- Al1.756 Fe0.062 Mn0.182 O5 Si -","- Al1.756 Fe0.062 Mn0.182 O5 Si -","- Al7.024 Fe0.248 Mn0.728 O20 Si4 -","4","0.5","","Abs-Wurmbach, I.; Langer, K.; Tillmanns, E.; Seifert, F.","The crystal chemistry of (Mn(3+),Fe(3+))-substituted Andalusites (Viridines and Kanonaite), (Al(1-x-y) Mn(3+)x Fe(3+)y (O (Si O4)): crystal structure, Moessbauer and polarized optical absorption spectra","Zeitschrift fuer Kristallographie (149,1979-)","1981","155","","81","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103522","7.891","","7.988","","5.603","","90","","90","","90","","353.176","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","Al1.562 Mn0.342 Fe0.096 (O (Si O4))","","- Al1.562 Fe0.096 Mn0.342 O5 Si -","- Al1.562 Fe0.096 Mn0.342 O5 Si -","- Al6.248 Fe0.384 Mn1.368 O20 Si4 -","4","0.5","","Abs-Wurmbach, I.; Langer, K.; Seifert, F.; Tillmanns, E.","The crystal chemistry of (Mn(3+),Fe(3+))-substituted Andalusites (Viridines and Kanonaite), (Al(1-x-y) Mn(3+)x Fe(3+)y (O (Si O4)): crystal structure, Moessbauer and polarized optical absorption spectra","Zeitschrift fuer Kristallographie (149,1979-)","1981","155","","81","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103523","7.961","","8.053","","5.616","","90","","90","","90","","360.041","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","Al1.302 Mn0.680 Fe0.018 (O (Si O4))","","- Al1.302 Fe0.018 Mn0.68 O5 Si -","- Al1.302 Fe0.018 Mn0.68 O5 Si -","- Al5.208 Fe0.072 Mn2.72 O20 Si4 -","4","0.5","","Abs-Wurmbach, I.; Langer, K.; Seifert, F.; Tillmanns, E.","The crystal chemistry of (Mn(3+),Fe(3+))-substituted Andalusites (Viridines and Kanonaite), (Al(1-x-y) Mn(3+)x Fe(3+)y (O (Si O4)): crystal structure, Moessbauer and polarized optical absorption spectra","Zeitschrift fuer Kristallographie (149,1979-)","1981","155","","81","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103791","11.708","","14.668","","3.45","","90","","90","","90","","592.479","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Ti2 Se","","- Se Ti2 -","- Se Ti2 -","- Se12 Ti24 -","12","1.5","","Weirich, T.E.","Electron diffraction structure analysis: structural research with low-quality diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","269","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103836","7.294","","15.5","","4.124","","90","","90","","90","","466.247","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Th Re4 Si2","","- Re4 Si2 Th -","- Re4 Si2 Th -","- Re16 Si8 Th4 -","4","0.5","","Albering, J.H.; Jeitschko, W.","Crystal structure of thorium tetrarhenium disilicide, Th Re4 Si2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","686","686","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104173","8.0223","","8.1546","","5.762","","90","","90","","90","","376.942","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Fe2.59 Al5.41 Ge3.686 O19.38","","- Al5.41 Fe2.59 Ge3.686 O19.38 -","- Al5.408 Fe2.592 Ge3.686 O19.38 -","- Al5.408 Fe2.592 Ge3.686 O19.38 -","1","0.125","","Fischer, R.X.; Schneider, H.","Crystal chemistry of iron containing germanium andalusites, FexAl8-xGe4O20","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","19","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","164931","2020-10-21","18:00:00",""
"8104174","8.0376","","8.1673","","5.7726","","90","","90","","90","","378.945","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Fe3.004 Al5.004 Ge4 O20","","- Al5.004 Fe3.004 Ge4 O20 -","- Al4.996 Fe3.004 Ge4 O20 -","- Al4.996 Fe3.004 Ge4 O20 -","1","0.125","","Fischer, R.X.; Schneider, H.","Crystal chemistry of iron containing germanium andalusites, FexAl8-xGe4O20","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","19","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","164935","2020-10-21","18:00:00",""
"8104175","8.0655","","8.1954","","5.8019","","90","","90","","90","","383.506","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Fe3.66 Al4.34 Ge3.86 O19.72","","- Al4.34 Fe3.66 Ge3.86 O19.72 -","- Al4.34 Fe3.66 Ge3.86 O19.72 -","- Al4.34 Fe3.66 Ge3.86 O19.72 -","1","0.125","","Fischer, R.X.; Schneider, H.","Crystal chemistry of iron containing germanium andalusites, FexAl8-xGe4O20","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","19","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","164939","2020-10-21","18:00:00",""
"8104176","8.1006","","8.2259","","5.8259","","90","","90","","90","","388.207","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Fe4.56 Al3.412 Ge3.876 O19.76","","- Al3.412 Fe4.56 Ge3.876 O19.76 -","- Al3.412 Fe4.56 Ge3.876 O19.76 -","- Al3.412 Fe4.56 Ge3.876 O19.76 -","1","0.125","","Fischer, R.X.; Schneider, H.","Crystal chemistry of iron containing germanium andalusites, FexAl8-xGe4O20","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","19","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","164943","2020-10-21","18:00:00",""
"8104177","8.149","","8.2654","","5.8606","","90","","90","","90","","394.739","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Fe5.624 Al2.28 Ge4 O19.86","","- Al2.28 Fe5.624 Ge4 O19.86 -","- Al2.28 Fe5.624 Ge4 O19.86 -","- Al2.28 Fe5.624 Ge4 O19.86 -","1","0.125","","Fischer, R.X.; Schneider, H.","Crystal chemistry of iron containing germanium andalusites, FexAl8-xGe4O20","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","19","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","164947","2020-10-21","18:00:00",""
"8104706","6.7685","0.0005","12.8618","0.001","5.4685","0.0004","90","","90","","90","","476.06","0.06","298","2","298","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ba2 Cl2 Mn O6 Se2 -","- Ba2 Cl2 Mn O6 Se2 -","- Ba4 Cl4 Mn2 O12 Se4 -","2","0.25","","Geng, Lei","The crystal structure of Ba 2 Mn(SeO3)2Cl2 containing 1 ∞[Mn(SeO3)2Cl2]4− chains","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","771","772","10.1515/ncrs-2021-0097","","","0.71073","MoKα","","0.02","0.0191","","","0.0843","0.0854","","","","","","1.077","","","","has coordinates","273567","2022-03-09","10:38:38",""
"8107452","10.3463","0.0007","17.6637","0.0014","9.2458","0.0008","90","","90","","90","","1689.7","0.2","298","2","298.15","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H32 Li6 O44 V10 -","- H32 Li6 O44 V10 -","- H64 Li12 O88 V20 -","2","0.25","","Liu, Wanxing; Wang, Baolei; Yang, Yanbing; Liu, Dong; Dai, Yifan; Zhang, Meiyu","The crystal structure of hexalithium decavanadate hexadecahydrate, H32Li6O44V10","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","399","401","10.1515/ncrs-2022-0524","","","0.71073","MoKα","","0.0563","0.0436","","","0.1174","0.1271","","","","","","1.038","","","","has coordinates","285118","2023-07-10","09:05:33",""
"9000178","8.57","","8.77","","6.27","","90","","90","","90","","471.246","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","Eveite","- As H Mn2 O5 -","- As H Mn2 O5 -","- As4 H4 Mn8 O20 -","4","0.5","","Moore, P. B.; Smyth, J. R.","Crystal chemistry of the basic manganese arsenates: III. The crystal structure of eveite, Mn2(OH)(AsO4)","American Mineralogist","1968","53","","1841","1845","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000187","13.79","","13.68","","3.279","","90","","90","","90","","618.574","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","Gageite","- H10 Mg2.01 Mn4.99 O15 Si2 -","- H10 Mg2.01 Mn4.99 O15 Si2 -","- H20 Mg4.02 Mn9.98 O30 Si4 -","2","0.25","","Moore, P. B.","A novel octahedral framework structure: gageite","American Mineralogist","1969","54","","1005","1017","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000521","8.306","","8.524","","6.043","","90","","90","","90","","427.846","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","Adamite","- As H O5 Zn2 -","- As H O5 Zn2 -","- As4 H4 O20 Zn8 -","4","0.5","","Hill, R. J.","The crystal structure and infrared properties of adamite","American Mineralogist","1976","61","","979","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000715","7.798","","7.9031","","5.5566","","90","","90","","90","","342.444","","","","298.15","","","","","","","","","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Winter, J. K.; Ghose, S.","Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs T = 25 deg C","American Mineralogist","1979","64","","573","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9000716","7.8355","","7.9289","","5.5611","","90","","90","","90","","345.494","","","","673.15","","","","","","","","","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Winter, J. K.; Ghose, S.","Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs T = 400 deg C","American Mineralogist","1979","64","","573","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9000717","7.8556","","7.9424","","5.5642","","90","","90","","90","","347.163","","","","873.15","","","","","","","","","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Winter, J. K.; Ghose, S.","Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs T = 600 deg C","American Mineralogist","1979","64","","573","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9000718","7.8759","","7.9567","","5.5664","","90","","90","","90","","348.825","","","","1073.15","","","","","","","","","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Winter, J. K.; Ghose, S.","Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs T = 800 deg C","American Mineralogist","1979","64","","573","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9000719","7.8976","","7.9735","","5.5695","","90","","90","","90","","350.72","","","","1273.15","","","","","","","","","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Winter, J. K.; Ghose, S.","Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs T = 1000 deg C","American Mineralogist","1979","64","","573","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9000814","8.875","","8.881","","15.79","","90","","90","","90","","1244.55","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","","Natroapophyllite","- Ca4 F H16 Na O28 Si8 -","- Ca4 F H16 Na O28 Si8 -","- Ca8 F2 H32 Na2 O56 Si16 -","2","0.25","","Miura Y; Kato T; Rucklidge J C; Matsueda H","Natroapophyllite, a new orthorhombic sodium analog of apophyllite II. Crystal structure","American Mineralogist","1981","66","","410","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:19",""
"9000816","7.959","","8.047","","5.616","","90","","90","","90","","359.683","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","Kanonaite","- Al1.14 Mn0.86 O5 Si -","- Al1.14 Mn0.86 O5 Si -","- Al4.56 Mn3.44 O20 Si4 -","4","0.5","","Weiss, Z.; Bailey, S. W.; Rieder, M.","Refinement of the crystal structure of kanonaite, (Mn,Al)(Al,Mn)O[SiO4]","American Mineralogist","1981","66","","561","567","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000919","7.7599","","7.8735","","5.544","","90","","90","","90","","338.725","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Ralph, R. L.; Finger, L. W.; Hazen, R. M.; Ghose, S.","Compressibility and crystal structure of andalusite at high pressure 12 kbar continuous-scan","American Mineralogist","1984","69","","513","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:56",""
"9000920","7.76","","7.873","","5.544","","90","","90","","90","","338.708","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Ralph, R. L.; Finger, L. W.; Hazen, R. M.; Ghose, S.","Compressibility and crystal structure of andalusite at high pressure 12 kbar step-scan","American Mineralogist","1984","69","","513","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:56",""
"9000921","7.7382","","7.8571","","5.5338","","90","","90","","90","","336.454","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Ralph, R. L.; Finger, L. W.; Hazen, R. M.; Ghose, S.","Compressibility and crystal structure of andalusite at high pressure 25 kbar step-scan","American Mineralogist","1984","69","","513","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:56",""
"9000922","7.7049","","7.8375","","5.5262","","90","","90","","90","","333.711","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Ralph, R. L.; Finger, L. W.; Hazen, R. M.; Ghose, S.","Compressibility and crystal structure of andalusite at high pressure 37 kbar continuous scan","American Mineralogist","1984","69","","513","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:56",""
"9001090","34.221","","37.933","","4.063","","90","","90","","90","","5274.2","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","","Izoklakeite","- Bi11.536 Cu1.3 Fe0.7 Pb27.684 S57 Sb6.78 -","- Bi11.536 Cu1.3 Fe0.7 Pb27.684 S57 Sb6.78 -","- Bi23.072 Cu2.6 Fe1.4 Pb55.368 S114 Sb13.56 -","2","0.25","","Armbruster, T.; Hummel, W.","(Sb,Bi,Pb) ordering in sulfosalts: Crystal-structure refinement of a Bi-rich izoklakeite","American Mineralogist","1987","72","","821","831","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001445","5.0894","","13.968","","8.6956","","90","","90","","90","","618.159","","","","","","","","","","synthesized at 1400 C","synthesized at 1400 C and 20 GPa","","4","P n n m","-P 2 2n","58","","","Phase-B-superhydrous","- H4 Mg10 O18 Si3 -","- H4 Mg10 O18 Si3 -","- H8 Mg20 O36 Si6 -","2","0.25","","Pacalo, R. E. G.; Parise, J. B.","Crystal structure of superhydrous B, a hydrous magnesium silicate synthesized at 1400 C and 20 GPa","American Mineralogist","1992","77","","681","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001847","5.05","","13.969","","8.64","","90","","90","","90","","609.495","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","Phase-B-superfluorous","- F4 Mg10 O14 Si3 -","- F4 Mg10 O14 Si3 -","- F8 Mg20 O28 Si6 -","2","0.25","","Hazen, R. M.; Yang, H.; Prewitt, C. T.; Gasparik, T.","Crystal chemistry of superfluorous phase B (Mg10Si3O14F4): Implications for the role of fluorine in the mantle","American Mineralogist","1997","82","","647","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9003990","7.793","","7.89734","","5.55583","","90","","90","","90","","341.928","","","","","","","","100","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = .0001 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003991","7.7568","","7.87268","","5.54488","","90","","90","","90","","338.608","","","","","","","","1474000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 1.474 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003992","7.732","","7.85659","","5.53642","","90","","90","","90","","336.322","","","","","","","","2512000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 2.512 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003993","7.7186","","7.8467","","5.5329","","90","","90","","90","","335.103","","","","","","","","3129000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 3.129 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003994","7.7014","","7.8354","","5.52629","","90","","90","","90","","333.476","","","","","","","","3932000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 3.932 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003995","7.6704","","7.81452","","5.51589","","90","","90","","90","","330.625","","","","","","","","5441000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 5.441 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003996","7.6313","","7.78625","","5.50175","","90","","90","","90","","326.91","","","","","","","","7565000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 7.565 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003997","7.5922","","7.76","","5.4872","","90","","90","","90","","323.281","","","","","","","","9828000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 9.828 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004101","8.304","","8.53","","6.047","","90","","90","","90","","428.328","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","Adamite","- As H O5 Zn2 -","- As H O5 Zn2 -","- As4 H4 O20 Zn8 -","4","0.5","","Hawthorne, F. C.","A refinement of the crystal structure of adamite","The Canadian Mineralogist","1976","14","","143","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004131","8.062","","8.384","","5.881","","90","","90","","90","","397.507","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","Libethenite","- Cu2 H O5 P -","- Cu2 H O5 P -","- Cu8 H4 O20 P4 -","4","0.5","","Cordsen, A.","A crystal-structure refinement of libethenite","The Canadian Mineralogist","1978","16","","153","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004134","18.357","","12.591","","6.068","","90","","90","","90","","1402.52","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","Orthopinakiolite","- B8 Fe1.76 Mg11.384 Mn10.446 O40 -","- B8 Fe1.76 Mg11.384 Mn10.446 O40 -","- B16 Fe3.52 Mg22.768 Mn20.892 O80 -","2","0.25","","Takeuchi, Y.; Haga, N.; Kato, T.; Miura, Y.","Orthopinakiolite, Me2.95O2[BO3]: its crystal structure and relationship to pinakiolite, Me2.90O2[BO3] Note: z-coordinate of O9 changed. y-coordinate of M7* changed.","The Canadian Mineralogist","1978","16","","475","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004333","18.15","","16.866","","18.436","","90","","90","","90","","5643.59","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C12 H34 Ca6 Na3 O61 U4 -","- C12 H34 Ca6 Na3 O61 U4 -","- C48 H136 Ca24 Na12 O244 U16 -","4","0.5","","Vochten, R.; Haverbeke, L. V.; Springel, K. V.","The structure and physicochemical characteristics of a synthetic phase compositionally intermediate between liebigite and andersonite","The Canadian Mineralogist","1994","32","","553","561","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004387","8.5894","","8.2076","","5.9286","","90","","90","","90","","417.957","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","Olivenite","- As Cu2 O5 -","- As Cu2 O5 -","- As4 Cu8 O20 -","4","0.5","","Burns, P. C.; Hawthorne, F. C.","Rietveld refinement of the crystal structure of olivenite: A twinned monoclinic structure","The Canadian Mineralogist","1995","33","","885","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004486","14.8591","","7.1747","","12.1871","","90","","90","","90","","1299.26","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","Compreignacite","- H12.62 K2.04 O28.84 U6 -","- H19.68 K2.04 O28.84 U6 -","- H39.36 K4.08 O57.68 U12 -","2","0.25","","Burns, P. C.","The structure of compreignacite, K2((UO2)3O2(OH)3)2(H2O)7","The Canadian Mineralogist","1998","36","","1061","1067","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004488","37.654","","12.615","","6.2472","","90","","90","","90","","2967.45","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","","Blatterite","- Al0.28 B16 Mg10.44 Mn41.28 O80 Sb3 -","- Al0.28 B16 Mg10.44 Mn41.28 O80 Sb3 -","- Al0.56 B32 Mg20.88 Mn82.56 O160 Sb6 -","2","0.25","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of blatterite, Sb3(Mn,Fe)9(Mn,Mg)35(BO3)16O32, and structural hierarchy in Mn-bearing zigzag borates","The Canadian Mineralogist","1998","36","","1171","1193","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006858","4.2841","","4.2098","","2.8089","","90","","90","","90","","50.659","","","","","","","","28000000","","","","","2","P n n m","-P 2 2n","58","","","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.25","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: CaCl2-type, post-argutite, P = 28 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006859","4.2852","","4.1959","","2.8062","","90","","90","","90","","50.456","","","","","","","","29000000","","","","","2","P n n m","-P 2 2n","58","","","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.25","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: CaCl2-type, post-argutite, P = 29 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006860","4.2866","","4.1742","","2.7995","","90","","90","","90","","50.092","","","","","","","","32000000","","","","","2","P n n m","-P 2 2n","58","","","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.25","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: CaCl2-type, post-argutite, P = 32 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006861","4.2834","","4.1508","","2.7941","","90","","90","","90","","49.678","","","","","","","","35000000","","","","","2","P n n m","-P 2 2n","58","","","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.25","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: CaCl2-type, post-argutite, P = 35 GPa Note: O y-coordinate altered from the reported value","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006862","4.2814","","4.1424","","2.7919","","90","","90","","90","","49.515","","","","","","","","36000000","","","","","2","P n n m","-P 2 2n","58","","","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.25","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: CaCl2-type, post-argutite, P = 36 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007380","13.991","","5.097","","8.715","","90","","90","","90","","621.485","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","Superhydrous Phase B (deuterated)","","","- D3.2 H0.8 Mg8.2 Ni1.8 O18 Si3 -","- D3.2 H0.8 Mg8.2 Ni1.8 O18 Si3 -","- D6.4 H1.6 Mg16.4 Ni3.6 O36 Si6 -","2","0.25","","Koch-Muller M; Dera, P.; Fei, Y.; Hellwig, H.; Liu, Z.; Van Orman, J.; Wirth, R.","Polymorphic phase transition in Superhydrous Phase B Sample: JIM252","Physics and Chemistry of Minerals","2005","32","","349","361","10.1007/s00269-005-0007-4","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008386","27.585","","12.561","","6.027","","90","","90","","90","","2088.33","","","","","","","","","","","","Langban mine, Sweden","4","P n n m","-P 2 2n","58","","","Takeuchiite","- B12 Mg20.58 Mn15.42 O60 -","- B12 Mg20.58 Mn15.42 O60 -","- B24 Mg41.16 Mn30.84 O120 -","2","0.25","","Norrestam, R.; Bovin, J.-O.","The crystal structure of takeuchiite, Mg1.71Mn1.29BO5: A combined single crystal X-ray and HRTEM study","Zeitschrift fur Kristallographie","1987","181","","135","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9009084","6.24","","6.43","","4.2","","90","","90","","90","","168.517","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","Hydrophilite","- Ca Cl2 -","- Ca Cl2 -","- Ca2 Cl4 -","2","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: distorted rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009085","5.974","","6.624","","3.488","","90","","90","","90","","138.026","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Cl2 Cr -","- Cl2 Cr -","- Cl4 Cr2 -","2","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: distorted rutile structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009403","12.559","","8.518","","6.072","","90","","90","","90","","649.568","","","","","","","","","","","","Jardinera No. 1, Inca de Oro, Atacama, Chile","4","P n n m","-P 2 2n","58","","","Szenicsite","- Cu3 H4 Mo O8 -","- Cu3 H4 Mo O8 -","- Cu12 H16 Mo4 O32 -","4","0.5","","Stolz, J.; Armbruster, T.","X-ray single-crystal structure refinement of szenicsite, Cu3MoO4(OH)4, and its relation to the structure of antlerite, Cu3SO4(OH)4","Neues Jahrbuch fur Mineralogie, Monatshefte","1998","1998","","278","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009410","5.243","","5.978","","2.9783","","90","","90","","90","","93.348","","","","","","","","","","","","Haje, Pibram, Czech Republic","6","P n n m","-P 2 2n","58","","","Lollingite","- As1.94 Co0.03 Fe0.61 Ni0.36 S0.02 Sb0.04 -","- As1.94 Co0.03 Fe0.61 Ni0.36 S0.02 Sb0.04 -","- As3.88 Co0.06 Fe1.22 Ni0.72 S0.04 Sb0.08 -","2","0.25","","Ondrus, P.; Vavrin, I.; Skala, R.; Veselovsky, F.","Low-temperature Ni-rich lollingite from Haje, Pibram, Czech Republic. Rietveld crystal structure refinement","Neues Jahrbuch fur Mineralogie, Monatshefte","2001","2001","","169","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009411","5.2684","","5.9631","","2.9007","","90","","90","","90","","91.128","","","","","","","","","","","","Dolni Bory, Czech Republic","2","P n n m","-P 2 2n","58","","","Lollingite","- As2 Fe -","- As2 Fe -","- As4 Fe2 -","2","0.25","","Ondrus, P.; Vavrin, I.; Skala, R.; Veselovsky, F.","Low-temperature Ni-rich lollingite from Haje, Pibram, Czech Republic. Rietveld crystal structure refinement","Neues Jahrbuch fur Mineralogie, Monatshefte","2001","2001","","169","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009853","5.005","","6.182","","3.74","","90","","90","","90","","115.719","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Cu Se2 -","- Cu Se2 -","- Cu2 Se4 -","2","0.25","","Heyding, R. D.; Murray, R. M.","Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma-CuSe, CuSe2, and CuSe2II Note: low-pressure polymorph, marcasite structure","Canadian Journal of Chemistry","1976","54","","841","848","10.1139/v76-122","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009913","5.1169","","5.8915","","2.8709","","90","","90","","90","","86.547","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- P2 Ru -","- P2 Ru -","- P4 Ru2 -","2","0.25","","Kjekshus, A.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2","Acta Chemica Scandinavica A","1977","31","","253","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009914","5.4279","","6.1834","","2.9685","","90","","90","","90","","99.631","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Anduoite","- As2 Ru -","- As2 Ru -","- As4 Ru2 -","2","0.25","","RuAs2; Kjekshus A; Rakke T; Andresen A F","Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2 Locality: synthetic","Acta Chemica Scandinavica A","1977","31","","253","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009915","5.9514","","6.6743","","3.179","","90","","90","","90","","126.274","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Ru Sb2 -","- Ru Sb2 -","- Ru2 Sb4 -","2","0.25","","Kjekshus, A.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2","Acta Chemica Scandinavica A","1977","31","","253","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009916","5.1012","","5.9022","","2.9183","","90","","90","","90","","87.865","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Os P2 -","- Os P2 -","- Os2 P4 -","2","0.25","","Kjekshus, A.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2","Acta Chemica Scandinavica A","1977","31","","253","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009917","5.4115","","6.19","","3.0127","","90","","90","","90","","100.917","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Omeiite","- As2 Os -","- As2 Os -","- As4 Os2 -","2","0.25","","OsAs2; Kjekshus A; Rakke T; Andresen A F","Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2 Locality: synthetic","Acta Chemica Scandinavica A","1977","31","","253","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009918","5.9411","","6.6873","","3.2109","","90","","90","","90","","127.569","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Os Sb2 -","- Os Sb2 -","- Os2 Sb4 -","2","0.25","","Kjekshus, A.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2","Acta Chemica Scandinavica A","1977","31","","253","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010399","5.666","","18.844","","3.728","","90","","90","","90","","398.039","","","","","","","","","","","","skarndolomite xenoliths, Dovyren massif, Russia","5","P n n m","-P 2 2n","58","","","Dovyrenite","- Ca3 H2 O9 Si2 Zr0.5 -","- Ca3 H2 O9 Si2 Zr0.5 -","- Ca6 H4 O18 Si4 Zr -","2","0.25","","Kadiyski, M.; Armbruster, T.; Galuskin, E. V.; Pertsev, N. N.; Zadov, A. E.; Galuskina, I. O.; Wrzalik, R.; Dzierzanowski, P.; Kislov, E. V.","The modular structure of dovyrenite, Ca6Zr[Si2O7]2(OH)4: alternate stacking of tobermorite and rosenbuschite-like units Locality: skarndolomite xenoliths, Dovyren massif, Russia","American Mineralogist","2008","93","","456","462","10.2138/am.2008.2669","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011163","10.84","","23.693","","6.902","","90","","90","","90","","1772.66","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Cu H12 N6 O6 -","- Cu H12 N6 O6 -","- Cu8 H96 N48 O48 -","8","1","","Morosin, B.","The crystal structure of copper(II) tetraammine nitrate","Acta Crystallographica, Section B","1976","32","","1237","1240","10.1107/S0567740876005013","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011188","8.5","","8.52","","5.99","","90","","90","","90","","433.796","","","","","","","","","","","","Tsumeb, Southwest Africa","5","P n n m","-P 2 2n","58","","","Zincolivenite","- As Cu0.86 H O5 Zn1.14 -","- As Cu0.86 H O5 Zn1.14 -","- As4 Cu3.44 H4 O20 Zn4.56 -","4","0.5","","Toman, K.","Ordering in olivenite-adamite solid solutions","Acta Crystallographica, Section B","1978","34","","715","721","10.1107/S0567740878003933","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9011400","5.0669","","5.8739","","3.1346","","90","","90","","90","","93.293","","","","","","","","","","","","Timiskaming County, Ontario, Canada, RRUFF ID: R070611","4","P n n m","-P 2 2n","58","","","Safflorite","- As2 Co0.61 Fe0.17 Ni0.22 -","- As2 Co0.61 Fe0.17 Ni0.22 -","- As4 Co1.22 Fe0.34 Ni0.44 -","2","0.25","","Yang, H.; Downs, R. T.; Eichler, C.","Safflorite, (Co,Ni,Fe)As2, isomorphous with marcasite","Acta Crystallographica, Section E","2008","64","","i62","i62","10.1107/S1600536808026688","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011583","22.575","","34.104","","4.038","","90","","90","","90","","3108.85","","","","","","","","","","","","Korunka mine, Spissko-Gemerske Rudohorie Mountains, Czechoslovakia","6","P n n m","-P 2 2n","58","","","Kobellite","- Bi7.89 Cu0.888 Fe1.112 Pb12 S35 Sb6.11 -","- Bi7.89 Cu0.888 Fe1.112 Pb12 S35 Sb6.11 -","- Bi15.78 Cu1.776 Fe2.224 Pb24 S70 Sb12.22 -","2","0.25","","Miehe, G.","Crystal structure of kobellite","Nature Physical Science","1971","231","","133","134","10.1038/physci231133a0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012125","4.804","","5.784","","3.586","","90","","90","","90","","99.642","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Pickardt, J.; Reuter, B.; Riedel, E.; Sochtig, J.","On the formation of FeSe2 single crystals by chemical transport reactions","Journal of Solid State Chemistry","1975","15","","366","368","10.1016/0022-4596(75)90293-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012130","4.873","","4.332","","2.963","","90","","90","","90","","62.548","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","Guyanaite (deuterated)","- Cr D O2 -","- Cr D O2 -","- Cr2 D2 O4 -","2","0.25","","Christensen, N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of beta-CrOOH and beta-CrOOD Locality: synthetic","Journal of Solid State Chemistry","1976","19","","299","304","10.1016/0022-4596(76)90180-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012131","4.862","","4.298","","2.995","","90","","90","","90","","62.586","","","","","","","","","","","","Synthetic","3","P n n m","-P 2 2n","58","","","Guyanaite","- Cr H O2 -","- Cr H O2 -","- Cr2 H2 O4 -","2","0.25","","Christensen, N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of beta-CrOOH and beta-CrOOD","Journal of Solid State Chemistry","1976","19","","299","304","10.1016/0022-4596(76)90180-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012340","5.3001","","5.9838","","2.8821","","90","","90","","90","","91.405","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Lollingite","- As2 Fe -","- As2 Fe -","- As4 Fe2 -","2","0.25","","Lutz, H. D.; Jung, M.; Waschenbach, G.","Kristallstrukturen des lollingits FeAs2 und des pyrits RuTe2","Zeitschrift fur Anorganische und Allgemeine Chemie","1987","554","","87","91","10.1002/zaac.19875541110","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012539","5.8328","","6.5376","","3.1973","","90","","90","","90","","121.921","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Seinajokite","- Fe Sb2 -","- Fe Sb2 -","- Fe2 Sb4 -","2","0.25","","Holseth, H.; Kjekshus, A.","Compounds with the marcasite type crystal structure IV. The crystal structure of FeSb2 Note: Powder X-ray diffractometer with strip charts","Acta Chemica Scandinavica","1969","23","","3043","3050","10.3891/acta.chem.scand.23-3043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012541","5.8328","","6.5376","","3.1973","","90","","90","","90","","121.921","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Seinajokite","- Fe Sb2 -","- Fe Sb2 -","- Fe2 Sb4 -","2","0.25","","Holseth, H.; Kjekshus, A.","Compounds with the marcasite type crystal structure IV. The crystal structure of FeSb2 Note: Powder X-ray counted by step-scanning","Acta Chemica Scandinavica","1969","23","","3043","3050","10.3891/acta.chem.scand.23-3043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012543","5.8328","","6.5376","","3.1973","","90","","90","","90","","121.921","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Seinajokite","- Fe Sb2 -","- Fe Sb2 -","- Fe2 Sb4 -","2","0.25","","Holseth, H.; Kjekshus, A.","Compounds with the marcasite type crystal structure IV. The crystal structure of FeSb2 Note: Powder neutron counted by step-scanning","Acta Chemica Scandinavica","1969","23","","3043","3050","10.3891/acta.chem.scand.23-3043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012544","5.8328","","6.5376","","3.1973","","90","","90","","90","","121.921","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Seinajokite","- Fe Sb2 -","- Fe Sb2 -","- Fe2 Sb4 -","2","0.25","","Holseth, H.; Kjekshus, A.","Compounds with the marcasite type crystal structure IV. The crystal structure of FeSb2 Note: Single crystal X-ray from integrated Weissenberg film","Acta Chemica Scandinavica","1969","23","","3043","3050","10.3891/acta.chem.scand.23-3043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012550","5.3012","","5.9858","","2.8822","","90","","90","","90","","91.458","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Lollingite","- As2 Fe -","- As2 Fe -","- As4 Fe2 -","2","0.25","","Kjekshus, A.; Rakke, T.; Andresen, A.","Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2","Acta Chemica Scandinavica A","1974","28","","996","1000","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012551","4.8002","","5.7823","","3.5834","","90","","90","","90","","99.462","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Kjekshus, A.; Rakke, T.; Andresen, A.","Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2","Acta Chemica Scandinavica A","1974","28","","996","1000","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012552","4.7582","","5.7949","","3.544","","90","","90","","90","","97.72","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Rammelsbergite","- As2 Ni -","- As2 Ni -","- As4 Ni2 -","2","0.25","","Kjekshus, A.; Rakke, T.; Andresen, A.","Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2","Acta Chemica Scandinavica A","1974","28","","996","1000","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012553","5.1823","","6.3168","","3.8403","","90","","90","","90","","125.714","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Nisbite","- Ni Sb2 -","- Ni Sb2 -","- Ni2 Sb4 -","2","0.25","","Kjekshus, A.; Rakke, T.; Andresen, A.","Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2","Acta Chemica Scandinavica A","1974","28","","996","1000","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012554","5.0226","","6.1957","","3.7468","","90","","90","","90","","116.595","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Krutaite","- Cu Se2 -","- Cu Se2 -","- Cu2 Se4 -","2","0.25","","Kjekshus, A.; Rakke, T.; Andresen, A.","Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2","Acta Chemica Scandinavica A","1974","28","","996","1000","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012565","5.4174","","6.2433","","2.9803","","90","","90","","90","","100.801","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- As2 Cr0.79 Fe0.21 -","- As2 Cr0.79 Fe0.21 -","- As4 Cr1.58 Fe0.42 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012566","5.3971","","6.1893","","2.9539","","90","","90","","90","","98.673","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- As2 Fe0.63 Ni0.37 -","- As2 Fe0.63 Ni0.37 -","- As4 Fe1.26 Ni0.74 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012567","5.3771","","6.1368","","2.9309","","90","","90","","90","","96.714","","","","","","","","","","","","Synthetic","3","P n n m","-P 2 2n","58","","","Lollingite","- As2 Cr0.47 Fe0.53 -","- As2 Cr0.47 Fe0.53 -","- As4 Cr0.94 Fe1.06 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.53Cr.47As2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012568","5.3544","","6.0853","","2.9112","","90","","90","","90","","94.856","","","","","","","","","","","","Synthetic","3","P n n m","-P 2 2n","58","","","Lollingite","- As2 Cr0.32 Fe0.68 -","- As2 Cr0.32 Fe0.68 -","- As4 Cr0.64 Fe1.36 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.68Cr.32As2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012569","5.3013","","5.9859","","2.8822","","90","","90","","90","","91.461","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Lollingite","- As2 Fe -","- As2 Fe -","- As4 Fe2 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: FeAs2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012570","5.2309","","5.9555","","2.9693","","90","","90","","90","","92.501","","","","","","","","","","","","Synthetic","3","P n n m","-P 2 2n","58","","","Lollingite","- As2 Fe0.75 Ni0.25 -","- As2 Fe0.75 Ni0.25 -","- As4 Fe1.5 Ni0.5 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.75Ni.25As2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012571","5.1377","","5.9205","","3.1077","","90","","90","","90","","94.529","","","","","","","","","","","","Synthetic","3","P n n m","-P 2 2n","58","","","Lollingite","- As2 Fe0.5 Ni0.5 -","- As2 Fe0.5 Ni0.5 -","- As4 Fe Ni -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.5Ni.5As2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012572","4.7583","","5.7954","","3.5449","","90","","90","","90","","97.755","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Rammelsbergite","- As2 Ni -","- As2 Ni -","- As4 Ni2 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: NiAs2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012573","6.0275","","6.8738","","3.2715","","90","","90","","90","","135.544","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Cr Sb2 -","- Cr Sb2 -","- Cr2 Sb4 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012574","6.0205","","6.8491","","3.2628","","90","","90","","90","","134.542","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cr0.93 Fe0.07 Sb2 -","- Cr0.93 Fe0.07 Sb2 -","- Cr1.86 Fe0.14 Sb4 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012575","6.0156","","6.8341","","3.2569","","90","","90","","90","","133.895","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cr0.88 Fe0.12 Sb2 -","- Cr0.88 Fe0.12 Sb2 -","- Cr1.76 Fe0.24 Sb4 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012576","5.9862","","6.781","","3.237","","90","","90","","90","","131.398","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cr0.72 Fe0.28 Sb2 -","- Cr0.72 Fe0.28 Sb2 -","- Cr1.44 Fe0.56 Sb4 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012577","5.9632","","6.7391","","3.2233","","90","","90","","90","","129.533","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cr0.6 Fe0.4 Sb2 -","- Cr0.6 Fe0.4 Sb2 -","- Cr1.2 Fe0.8 Sb4 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012578","5.9378","","6.886","","3.2147","","90","","90","","90","","131.442","","","","","","","","","","","","Synthetic","3","P n n m","-P 2 2n","58","","","Seinajokite","- Cr0.45 Fe0.55 Sb2 -","- Cr0.45 Fe0.55 Sb2 -","- Cr0.9 Fe1.1 Sb4 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.55Cr.45Sb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012579","5.8833","","6.6072","","3.2004","","90","","90","","90","","124.406","","","","","","","","","","","","Synthetic","3","P n n m","-P 2 2n","58","","","Seinajokite","- Cr0.21 Fe0.79 Sb2 -","- Cr0.21 Fe0.79 Sb2 -","- Cr0.42 Fe1.58 Sb4 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.79Cr.21Sb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012580","5.8328","","6.7356","","3.1973","","90","","90","","90","","125.614","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Seinajokite","- Fe Sb2 -","- Fe Sb2 -","- Fe2 Sb4 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: FeSb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012581","5.7535","","6.4928","","3.2681","","90","","90","","90","","122.084","","","","","","","","","","","","Synthetic","3","P n n m","-P 2 2n","58","","","Seinajokite","- Fe0.75 Ni0.25 Sb2 -","- Fe0.75 Ni0.25 Sb2 -","- Fe1.5 Ni0.5 Sb4 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.75Ni.25Sb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012582","5.6417","","6.4402","","3.3855","","90","","90","","90","","123.008","","","","","","","","","","","","Synthetic","3","P n n m","-P 2 2n","58","","","Seinajokite","- Fe0.5 Ni0.5 Sb2 -","- Fe0.5 Ni0.5 Sb2 -","- Fe Ni Sb4 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.5Ni.5Sb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012583","5.1837","","6.3184","","3.4808","","90","","90","","90","","114.006","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Nisbite","- Ni Sb2 -","- Ni Sb2 -","- Ni2 Sb4 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: NiSb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9013067","4.4446","","5.4246","","3.3864","","90","","90","","90","","81.647","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Marcasite","- Fe S2 -","- Fe S2 -","- Fe2 S4 -","2","0.25","","Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M.","Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: As-free marcasite","International Journal of Coal Geology","2007","71","","115","121","10.1016/j.coal.2006.07.003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013068","4.449","","5.432","","3.391","","90","","90","","90","","81.95","","","","","","","","","","","","Dul CSA mine, North Bohemian Basin, Czech Republic","3","P n n m","-P 2 2n","58","","","Marcasite","- As0.4 Fe S1.6 -","- As0.4 Fe S1.6 -","- As0.8 Fe2 S3.2 -","2","0.25","","Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M.","Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: Natural As-marcasite","International Journal of Coal Geology","2007","71","","115","121","10.1016/j.coal.2006.07.003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013419","5.0576","","5.6245","","6.9884","","90","","90","","90","","198.795","","","","","","","","","","quenched from 20 GPa, 1700 K","quenched from 20 GPa","Synthetic","1","P n n m","-P 2 2n","58","Boron","","Boron","- B -","- B -","- B28 -","28","3.5","","Zarechnaya, E. Y.; Dubrovinsky, L.; Dubrovinskaia, N.; Filinchuk, Y.; Chernyshov, D.; Dmitriev, V.; Miyajima, N.; El Goresy, A.; Braun, H. F.; Van Smaalen, S.; Kantor, I.; Kantor, A.; Prakapenka, V.; Hanfland, M.; Mikhaylushkin, A. S.; Abrikosov, I. A.; Simak, S. I.","Superhard semiconducting optically transparent high pressure phase of boron Note: crystal quenched from 20 GPa, 1700 K","Physical Review Letters","2009","102","","185501","1185501-4","10.1103/PhysRevLett.102.185501","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013942","8.5201","","12.545","","6.0794","","90","","90","","90","","649.795","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","Szenicsite","- Cu3 H4 Mo O8 -","- Cu3 H4 Mo O8 -","- Cu12 H16 Mo4 O32 -","4","0.5","","Burns, P. C.","The crystal structure of szenicsite, Cu3MoO4(OH)4","Mineralogical Magazine","1998","62","","461","469","10.1180/002646198547837","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013999","8.323","","8.251","","5.861","","90","","90","","90","","402.493","","","","","","","","","","","","Block 14 open cut, Broken Hill, New South Wales, Australia","6","P n n m","-P 2 2n","58","","","Zincolibethenite","- As0.02 Cu0.94 H O5 P0.98 Zn1.06 -","- As0.02 Cu0.94 H O5 P0.98 Zn1.06 -","- As0.08 Cu3.76 H4 O20 P3.92 Zn4.24 -","4","0.5","","Williams, P. A.; Leverett, P.; Birch, W. D.; Hibbs, D. E.; Kilitsch, U.; Mihajlovic, T.","Zinc-rich zincolibethenite from Broken Hill, New South Wales Note: z-coordinate of O3 altered by communication with authors, April 2010","Australian Journal of Mineralogy","2006","12","","3","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014026","9.132","","19.415","","13.213","","90","","90","","90","","2342.64","","","","","","","","","","","","Tolbachik fumaroles, Kamchatka peninsula, Russia","7","P n n m","-P 2 2n","58","","","Prewittite","- Cl10 Cu6.15 K0.62 O8 Pb1.45 Se2 Zn -","- Cl10 Cu6.15 K0.62 O8 Pb1.45 Se2 Zn -","- Cl40 Cu24.6 K2.48 O32 Pb5.8 Se8 Zn4 -","4","0.5","","Shuvalov, R. R.; Vergasova, L. P.; Semenova, T. F.; Filatov, S. K.; Krivovichev, S. V.; Siidra, O. I.; Rudashevsky, N. S.","Prewittite, KPb1.5Cu6Zn(SeO3)2O2Cl10, a new mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia: Description and crystal structure","American Mineralogist","2013","98","","463","469","10.2138/am.2013.4174","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014569","17.015","","18.048","","18.394","","90","","90","","90","","5648.55","","","","","","","","","","","","Synthetic","6","P n n m","-P 2 2n","58","","","Linekite","- C24 H48 Ca12 K7.11 O112 U8 -","- C24 H48 Ca12 K7.11 O112 U8 -","- C48 H96 Ca24 K14.22 O224 U16 -","2","0.25","","Hughes Kubatko, K. A.; Burns, P. C.","The crystal structure of a novel uranyl tricarbonate, K2Ca3[(UO2)(CO3)3]2(H2O)6","The Canadian Mineralogist","2004","42","","997","1003","10.2113/gscanmin.42.4.997","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014615","4.8691","","4.3184","","2.9594","","90","","90","","90","","62.226","","","","","","","","","","","","synthetic at 4.0 GPa and 600 deg C for 24 hours","3","P n n m","-P 2 2n","58","","","Guyanaite","- Cr H2 O2 -","- Cr H2 O2 -","- Cr2 H4 O4 -","2","0.25","","Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.","Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run #630","European Journal of Mineralogy","2012","24","","839","850","10.1127/0935-1221/2012/0024-2228","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015092","5.3971","","6.1893","","2.9539","","90","","90","","90","","98.673","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- As2 Fe0.37 Ni0.63 -","- As2 Fe0.37 Ni0.63 -","- As4 Fe0.74 Ni1.26 -","2","0.25","","Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.","Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2","Acta Chemica Scandinavica A","1979","33","","469","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015195","8.6235","","8.2757","","5.9501","","90","","90","","90","","424.632","","","","","","","","","","","","Black Pine mine, Montana, USA","4","P n n m","-P 2 2n","58","","","Auriacusite","- As Cu1.45 Fe0.55 O5 -","- As Cu1.45 Fe0.55 O5 -","- As4 Cu5.8 Fe2.2 O20 -","4","0.5","","Mills, S. J.; Kampf, A. R.; Poirier, G.; Raudsepp, M.; Steele, I. M.","Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group, from the Black Pine mine, Montana, USA","Mineralogy and Petrology","2010","99","","113","120","10.1007/s00710-009-0089-7","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015967","4.8623","","4.2972","","2.9567","","90","","90","","90","","61.778","","","","","","","","","","","","synthetic at 4.0 GPa and 600 deg C for 24 hours","3","P n n m","-P 2 2n","58","","","Guyanaite","- Cr H2 O2 -","- Cr H2 O2 -","- Cr2 H4 O4 -","2","0.25","","Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.","Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9","European Journal of Mineralogy","2012","24","","839","850","10.1127/0935-1221/2012/0024-2228","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017079","4.733","","4.325","","2.842","","90","","90","","90","","58.176","","","","","","","","","","synthesized at 45 GPa and 1000 C","synthesized at 45 GPa","Synthetic","4","P n n m","-P 2 2n","58","","","Phase H","- H Mg0.5 O2 Si0.5 -","- H Mg0.5 O2 Si0.5 -","- H2 Mg O4 Si -","2","0.25","","Bindi, L.; Nishi, M.; Tsuchiya, J.; Irifune, T.","Crystal chemistry of dense hydrous magnesium silicates: The structure of phase H, MgSiH2O4, synthesized at 45 GPa and 1000 C","American Mineralogist","2014","99","","1802","1805","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9017428","4.804","","5.781","","3.5817","","90","","90","","90","","99.471","","","","","","","","0","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 0.0 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017429","4.771","","5.756","","3.5663","","90","","90","","90","","97.937","","","","","","","","1700000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 1.7 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017430","4.751","","5.729","","3.5467","","90","","90","","90","","96.536","","","","","","","","3830000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 3.83 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017431","4.698","","5.667","","3.5088","","90","","90","","90","","93.417","","","","","","","","8100000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 8.1 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017432","4.603","","5.581","","3.4492","","90","","90","","90","","88.608","","","","","","","","17300000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 17.3 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017433","4.555","","5.524","","3.409","","90","","90","","90","","85.777","","","","","","","","24400000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 24.4 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017434","4.488","","5.471","","3.3734","","90","","90","","90","","82.83","","","","","","","","32000000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 32 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017435","4.404","","5.391","","3.3185","","90","","90","","90","","78.788","","","","","","","","46000000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 46 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017436","4.7885","","5.7782","","3.5821","","90","","90","","90","","99.113","","","","198.2","","","","100","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 198.2 K, P = 0.0001 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017437","4.7893","","5.7775","","3.5795","","90","","90","","90","","99.045","","","","148.4","","","","100","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 148.4 K, P = 0.0001 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017438","4.7834","","5.7767","","3.5789","","90","","90","","90","","98.893","","","","50.4","","","","100","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 50.4 K, P = 0.0001 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017439","4.751","","5.723","","3.5501","","90","","90","","90","","96.527","","","","197","","","","3680000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 197 K, P = 3.68 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017440","4.7446","","5.772","","3.5512","","90","","90","","90","","97.253","","","","116","","","","3640000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 116 K, P = 3.64 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017591","13.969","","14.243","","5.893","","90","","90","","90","","1172.47","","","","","","","","","","","","Tiger mine, Arizona, USA","8","P n n m","-P 2 2n","58","","","Bobmeyerite","- Al3.28 Cl Cu0.72 H14 O25 Pb4 S0.5 Si4.5 -","- Al3.28 Cl Cu0.72 H14 O25 Pb4 S0.5 Si4.5 -","- Al6.56 Cl2 Cu1.44 H28 O50 Pb8 S Si9 -","2","0.25","","Kampf, A. R.; Pluth, J. J.; Chen, Y. S.; Roberts, A. C.; Housley, R. M.","Bobmeyerite, a new mineral from Tiger, Arizona, USA, structurally related to cerchiaraite and ashburtonite","Mineralogical Magazine","2013","77","","81","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017758","4.918","","6.001","","3.57","","90","","90","","90","","105.361","","","","","","","","","","","","Predborice Deposit, Central Bohemia Region, Czech Republic","3","P n n m","-P 2 2n","58","","","Petricekite","- Cu0.53 Fe0.47 Se2 -","- Cu0.53 Fe0.47 Se2 -","- Cu1.06 Fe0.94 Se4 -","2","0.25","","Bindi, L.; Forster, H. J.; Grundmann, G.; Keutsch, F. N.; Stanley, C. J.","Petricekite, CuSe2, a new member of the marcasite group from the Predborice Deposit, Central Bohemia Region, Czech Republic","Minerals","2016","6","","","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""