# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T10:29:36+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n 21 a' 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
"1001024","7.82","0.02","9.46","0.02","7.4","0.02","90","","90","","90","","547.4","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Thallium niobium borate *","","- B2 Nb O6 Tl -","- B2 Nb O6 Tl -","- B8 Nb4 O24 Tl4 -","4","1","","Gasperin, M","Synthese et structure d'un oxyde multiple d'un type nouveau: Tl Nb B~2~ O~6~","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1181","1183","10.1107/S0567740874004523","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001464","12.764","0.0008","10.5153","0.0009","6.3648","0.0004","90","","90","","90","","854.3","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Potassium vanadium(IV) oxide phosphate","","- K O5 P V -","- K O5 P V -","- K8 O40 P8 V8 -","8","2","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","KVPO~5~, an intersecting tunnel structure closely related to the hexagonal tungsten bronze","Acta Crystallographica C (39,1983-)","1991","47","","1138","1141","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007237","9.236","0.006","5.462","0.003","9.342","0.007","90","","90","","90","","471.3","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Caesium zinc phosphate(V) - II","","- Cs O4 P Zn -","- Cs O4 P Zn -","- Cs4 O16 P4 Zn4 -","4","1","","Blum, D; Durif, A; Averbuch-Pouchot, M T","Crystal structures of the three forms of Cs Zn P O4","Ferroelectrics","1986","69","","283","292","10.1080/00150198608008201","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008427","13.486","0.002","10.688","0.001","6.8616","0.0007","90","","90","","90","","989","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Caesium titanium oxide arsenate","","- As Cs O5 Ti -","- As Cs O5 Ti -","- As8 Cs8 O40 Ti8 -","8","2","","Protas, J; Marnier, G; Boulanger, B; Menaert, B","Structure cristalline de Cs Ti O (As O~4~)","Acta Crystallographica C (39,1983-)","1989","45","","1123","1125","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1502432","36.409","0.003","11.5008","0.0005","12.1481","0.0005","90","","90","","90","","5086.8","0.5","293","2","293","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C57 H74 O11 -","- C57 H74 O11 -","- C228 H296 O44 -","4","1","","Zhang, Zibin; Yu, Guocan; Han, Chengyou; Liu, Jiyong; Ding, Xia; Yu, Yihua; Huang, Feihe","Formation of a cyclic dimer containing two mirror image monomers in the solid state controlled by van der Waals forces.","Organic letters","2011","13","18","4818","4821","10.1021/ol2018938","","","1.54184","CuKα","","0.1036","0.0887","","","0.2634","0.2921","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504419","6.6716","0.0009","10.4461","0.0015","21.497","0.003","90","","90","","90","","1498.2","0.4","203","2","203","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C14 H18 Cl2 Zr -","- C14 H18 Cl2 Zr -","- C56 H72 Cl8 Zr4 -","4","1","","Huang, Rubin; Duchateau, Robbert; Koning, Cor E.; Chadwick, John C.","Zirconocene Immobilization and Activation on MgCl2-Based Supports: Factors Affecting Ethylene Polymerization Activity","Macromolecules","2008","41","3","579","","10.1021/ma7024557","","","0.71073","MoKα","","0.0648","0.0573","","","0.1356","0.1404","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518116","13.103","0.002","10.746","0.001","6.558","0.001","90","","90","","90","","923.4","0.2","","","293","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- As K O5 Ti -","- As K O5 Ti -","- As8 K8 O40 Ti8 -","8","2","","El Brahimi, M.; Durand, J.","Structure et proprietes d'optique non lineaire de KTiOAsO4","Revue de Chimie Minerale","1986","23","","146","153","","","x-ray","0.71069","MoKα","","","0.03","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519652","18.4589","0.0002","58.006","0.0009","11.59672","0.00017","90","","90","","90","","12416.9","0.3","180","","180","","","","101","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C47 H59 N O5 -","- C47 H59 N O5 -","- C564 H708 N12 O60 -","12","3","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds.","Organic letters","2015","17","11","2788","2791","10.1021/acs.orglett.5b01200","","","1.5418","CuKα","","0.0526","0.0507","","0.1289","0.1271","0.1288","","","","","","0.8818","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519684","9.476","0.002","13.16","0.002","18.389","0.004","90","","90","","90","","2293.2","0.8","","","128","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C12 H33 B18 N Ni -","- C12 B18 N Ni -","- C48 B72 N4 Ni4 -","4","1","","Schubert, David M.; Harwell, David E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Structural Characterization of Charge Transfer Complexes of the Nickel(IV) Bis(3,1,2-dicarbollyl) Sandwich Compound","Acta Chemica Scandinavica","1999","53","","721","730","","","x-ray","1.5418","CuKα","","","0.055","","","0.07","","","","","","","","","","","has coordinates","136668","2020-10-21","18:00:00",""
"1522289","20.072","","19.937","","13.414","","90","","90","","90","","5367.95","","","","","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","((C3 H7)4 N)4 (Al4 Si92 O192)","","- C48 H112 Al4 N4 O192 Si92 -","- C48 Al4 N4 O192 Si92 -","- C48 Al4 N4 O192 Si92 -","1","0.25","","Yokomori, Y.; Idaka, S.","The structure of TPA-ZSM-5 with Si/Al=23","Microporous and Mesoporous Materials","1999","28","","405","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1523633","10.834","","11.089","","5.517","","90","","90","","90","","662.803","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Re O Cl4 (H2 O)","","- Cl4 H2 O2 Re -","- Cl4 O2 Re -","- Cl16 O8 Re4 -","4","1","","Frais, P.W.; Lock, C.J.L.","The preparation, physical properties, and structure of oxotetrachloroaquorhenium(VI), Re O Cl4 (O H2)","Canadian Journal of Chemistry","1972","50","","1811","1818","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524531","5.861","","5.712","","25.295","","90","","90","","90","","846.827","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","Ce Si P3","","- Ce P3 Si -","- Ce P3 Si -","- Ce8 P24 Si8 -","8","2","","Hayakawa, H.; Ono, S.; Sasaki, Y.; Kobayashi, A.","The crystal structure of cerium silicon triphosphide Ce Si P3","Nippon Kagaku Kaishi (= J.Chem.Soc.Japan) (1947-)","1978","9","","1214","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525708","6.689","","7.663","","14.216","","90","","90","","90","","728.681","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Sm3 Nb O4 S3","","- Nb O4 S3 Sm3 -","- Nb O4 S3 Sm3 -","- Nb4 O16 S12 Sm12 -","4","1","","Boyer-Candalen, C.; Meerschaut, A.; Palvadeau, P.","Crystal structure determination of the new compound Sm3 Nb O4 S3","Materials Research Bulletin","2000","35","","1593","1601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527734","9.3792","","8.9114","","4.9043","","90","","90","","90","","409.91","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Li (Mo O4 As O2)","","- As Li Mo O6 -","- As Li Mo O6 -","- As4 Li4 Mo4 O24 -","4","1","","Linnros, B.","The crystal structure of Li Mo O2 As O4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3711","3722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527924","12.79","","11.19","","6.66","","90","","90","","90","","953.18","","","","","","","","","","","","","2","P n 21 a","P -2ac -2n","33","","","","- P4 Se5 -","- P4 Se5 -","- P16 Se20 -","4","1","","Penney, G.J.; Sheldrick, G.M.","Crystal and molecular structure of tetraphosphorus pentaselenide","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1971","1971","","245","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528390","14.12","","17.15","","4.59","","90","","90","","90","","1111.51","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Ba H P O4","","- Ba H O4 P -","- Ba O4 P -","- Ba12 O48 P12 -","12","3","","Burley, G.","Crystal Structure of Barium Hydrogen Orthophosphate","Journal of Research of the National Bureau of Standards, Section A. Physics and Chemistry","1958","60","","23","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529921","10.832","","12.491","","3.495","","90","","90","","90","","472.882","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","Y2 Cu2 O5","","- Cu2 O5 Y2 -","- Cu2 O5 Y2 -","- Cu8 O20 Y8 -","4","1","","Famery, R.; Queyroux, F.","Crystal Structure Refinement of Y2 Cu2 O5 from Single Crystal X-Ray Diffraction Data","Materials Research Bulletin","1989","24","","275","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530035","10.181","","5.61","","4.447","","90","","90","","90","","253.992","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","Na2 (Be F4)","","- Be F4 Na2 -","- Be F4 Na2 -","- Be4 F16 Na8 -","4","1","","Guseinov, G.G.; Ilyukhin, V.V.; Belov, N.V.","The crystal structure of Na-orthofluoroberyllate Na2 Be F4 gamma","Doklady Akademii Nauk SSSR","1965","163","","94","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530519","15.1048","","10.4821","","5.9101","","90","","90","","90","","935.746","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","(N H4)2 (Be F4)","","- Be F4 H8 N2 -","- Be F4 H8 N2 -","- Be8 F32 H64 N16 -","8","2","","Onodera, A.; Shiozaki, Y.","X-ray study of crystal structures and phase transition in ferroelectric ammonium fluoberyllate (N H4)2 Be F4","Journal of the Physical Society of Japan","1979","46","","157","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531645","11.599","","5.218","","37.541","","90","","90","","90","","2272.12","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Bi6.2 Cu6.2 O8 (P O4)5","","- Bi6.2 Cu6.2 O28 P5 -","- Bi6.2 Cu6.199 O28 P5 -","- Bi24.8 Cu24.796 O112 P20 -","4","1","","Ketatni, E.M.; Huve, M.; Abraham, F.; Mentre, O.","Characterization of the new Bi6.2 Cu6.2 O8 (P O4)3 oxyphosphate; a disordered compound containing 2- and 3- (O (Bi, Cu)4) tetrahedra - wide polycationic ribbons","Journal of Solid State Chemistry","2003","172","","327","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531978","11.526","","7.048","","12.807","","90","","90","","90","","1040.38","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","U2 (P O4) (P3 O10)","","- O14 P4 U2 -","- O14 P4 U2 -","- O56 P16 U8 -","4","1","","Podor, R.; Francois, M.; Dacheux, N.","Synthesis, characterization and structure determination of the orthorhombic U2 (P O4) (P3 O10)","Journal of Solid State Chemistry","2003","172","","66","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533028","8.128","","4.8322","","11.977","","90","","90","","90","","470.41","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","Na2 (Si2 O5)","","- Na2 O5 Si2 -","- Na2 O5 Si2 -","- Na8 O20 Si8 -","4","1","","Rakic, S.; Kahlenberg, V.; Schmidt, B.C.","Hydrothermal synthesis and structural characterization of kappa-(Na2 Si O5) and Na1.84 K0.16 Si2 O5","Solid State Sciences","2003","5","","473","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533029","8.172","","4.8493","","12.078","","90","","90","","90","","478.633","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","(Na1.84 K0.16) (Si2 O5)","","- K0.16 Na1.84 O5 Si2 -","- K0.16 Na1.84 O5 Si2 -","- K0.64 Na7.36 O20 Si8 -","4","1","","Rakic, S.; Kahlenberg, V.; Schmidt, B.C.","Hydrothermal synthesis and structural characterization of kappa-(Na2 Si O5) and Na1.84 K0.16 Si2 O5","Solid State Sciences","2003","5","","473","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534823","7.67","","9.16","","6.28","","90","","90","","90","","441.215","","","","","","","","","","","","","2","P n 21 a","P -2ac -2n","33","","","","- Bi Cl3 -","- Bi Cl3 -","- Bi4 Cl12 -","4","1","","Bartl, H.","Meßzeitersparnis durch Profilauswertung bei der Registrierung von Neutroneneinkristallreflexen. Die Kristallstruktur von Wismuttrichlorid, BiCl~3~","Fresenius' Zeitschrift für analytische Chemie","1982","312","1","17","18","10.1007/BF00482726","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534950","12.522","","10.149","","6.226","","90","","90","","90","","791.236","","","","","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","K Al F (P O4)","","- Al F K O4 P -","- Al F K O4 P -","- Al8 F8 K8 O32 P8 -","8","2","","Slovokhotova, O.L.; Ilyushin, G.D.; Tsirel'son, V.G.; Triodina, N.S.; Gerr, R.G.; Dem'yanets, L.N.; Mel'nikov, O.K.","Atomic and electronic structure peculiarities of new non-linear optical crystal K Al F P O4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1991","32","","103","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537693","24.4","","5.45","","6.7","","90","","90","","90","","890.966","","","","","","","","","","","","","2","P n 21 a","P -2ac -2n","33","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","","Asbrink, S.; Kihlborg, L.","A study of the crystal symmetry and structure of orthorhombic Mo4 O11 by least-squares techniques","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","1571","1573","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541040","8.129","","11.249","","7.611","","90","","90","","90","","695.974","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","Rb Ge Br3","","- Br3 Ge Rb -","- Br3 Ge Rb -","- Br12 Ge4 Rb4 -","4","1","","Thiele, G.; Rotter, H.W.; Schmidt, K.D.","Die Kristallstrukturen und Phasentransformationen von Rb Ge Br3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","559","","7","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541784","26.433","","7.139","","8.044","","90","","90","","90","","1517.94","","","","","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","dicesium bismuth nitrate hydrate","","- Bi Cs2 H2 N5 O16 -","- Bi Cs2 H2 N5 O16 -","- Bi4 Cs8 H8 N20 O64 -","4","1","","Lazarini, F.; Leban, I.","Dicesium bismuth nitrate hydrate, Cs2 Bi (N O3)5 * H2 O","Crystal Structure Communications","1982","11","","653","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","205227","2020-10-21","18:00:00",""
"1541994","11.906","","6.884","","14.171","","90","","90","","90","","1161.47","","","","","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","(Ru (N O) (N H3)5) Cl3 (H2 O)","","- Cl3 H17 N6 O2 Ru -","- Cl3 H17 N6 O2 Ru -","- Cl12 H68 N24 O8 Ru4 -","4","1","","Khodashova, T.S.","Arrangement in crystals of ruthenium nitrosopentaamminetrichloride","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1963","4","","111","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1542250","7.403","","5.65","","11.443","","90","","90","","90","","478.626","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","K2 V O F4","","- F4 K2 O V -","- F4 K2 O V -","- F16 K8 O4 V4 -","4","1","","Waltersson, K.; Karlsson, B.","K2 V O F4","Crystal Structure Communications","1978","7","","459","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1543068","22.69881","0.00019","21.08434","0.00017","10.5946","0.00009","90","","90","","90","","5070.46","0.07","180","0.14","180","0.14","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C28 H29 B F4 N2 O3 -","- C28 H29 B F4 N2 O3 -","- C224 H232 B8 F32 N16 O24 -","8","2","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0546","0.051","","","0.148","0.1533","","","","","","1.033","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1545921","7.201","0.001","22.771","0.001","6.945","0.001","90","","90","","90","","1138.8","0.2","","","293","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- O7 Th V2 -","- O7 Th V2 -","- O56 Th8 V16 -","8","2","","Launay, S.; Mahe, P.; Quarton, M.; Robert, F.","Polymorphisme et structure cristalline de ThV2O7","Journal of Solid State Chemistry","1992","97","","305","313","10.1016/0022-4596(92)90038-W","","x-ray","0.71069","MoKα","","","0.03","","","0.034","","","","","","","","","","","has coordinates","195989","2020-10-21","18:00:00",""
"1547200","17.5147","0.0011","33.238","0.002","5.0184","0.0005","90","","90","","90","","2921.5","0.4","100","0.1","100","0.1","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C160 H128 O16 -","8","2","","Roy, Biswajit; Halder, Sudipta; Guha, Abhishek; Bandyopadhyay, Subhajit","Highly Selective Sub-ppm Naked-Eye Detection of Hydrazine with Conjugated-1,3-Diketo Probes: Imaging Hydrazine in Drosophila Larvae.","Analytical chemistry","2017","89","19","10625","10636","10.1021/acs.analchem.7b03503","","x-ray","0.71073","MoKα","","0.0575","0.0499","","","0.1159","0.1217","","","","","","1.113","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548092","25.5519","0.0002","13.37345","0.00009","14.81292","0.0001","90","","90","","90","","5061.83","0.06","120","2","120","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C41 H91 Li N5 O4 Si3 U -","- C41 H91 Li N5 O4 Si3 U -","- C164 H364 Li4 N20 O16 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0304","0.0285","","","0.0708","0.0728","","","","","","1.017","","","","has coordinates,has disorder","203276","2020-10-21","18:00:00",""
"1551556","6.9988","0.0007","11.4808","0.0011","21.7608","0.0017","90","","90","","90","","1748.5","0.3","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","(2E)-1-(Anthracen-9-yl)-3-(3-nitrophenyl)prop-2-en-1-one","","- C23 H15 N O3 -","- C23 H15 N O3 -","- C92 H60 N4 O12 -","4","1","","RAINA, Ankit; SALIAN, Vinutha V.; NARAYANA, B.; SAROJINI, B. K.; KANT, Rajni","Crystal Structure of (2<i>E</i>)-1-(Anthracen-9-yl)-3-(3-nitrophenyl)prop-2-en-1-one","X-ray Structure Analysis Online","2018","34","0","5","","10.2116/xraystruct.34.5","","","0.71073","MoKα","","0.0831","0.042","","","0.0708","0.086","","","","","","0.991","","","","has coordinates","216166","2020-10-21","18:00:00",""
"1553557","14.3717","0.0006","5.917","0.0002","21.4597","0.0009","90","","90","","90","","1824.88","0.12","300","","300","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C100 H72 O8 -","4","1","","Sreenivasulu, Chinnabattigalla; Gopi Krishna Reddy, A.; Satyanarayana, G.","Oxidative annulations triggered by a simple Lewis acid: facile synthesis of benzofurans","Organic Chemistry Frontiers","2017","4","6","972","","10.1039/C6QO00531D","","","1.54184","CuKα","","0.1073","0.0671","","","0.1467","0.1967","","","","","","1.0503","","","","has coordinates","235134","2020-10-21","18:00:00",""
"1562111","13.7364","0.0002","9.2666","0.0002","11.5678","0.0002","90","","90","","90","","1472.46","0.05","293","2","293","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","Dicesium copper dioxovanadium (IV) Bis (diphosphate (V))","","","- Cs8 Cu4.4 O63.6 P16 V7.6 -","- Cs8 Cu4.4 O63.6 P16 V7.6 -","- Cs8 Cu4.4 O63.6 P16 V7.6 -","1","0.25","","Shvanskaya, Larisa; Yakubovich, Olga; Bychkov, Andrey; Shcherbakov, Vasiliy; Golovanov, Alexey; Zvereva, Elena; Volkova, Olga; Vasiliev, Alexander","A cesium copper vanadyl-diphosphate: Synthesis, crystal structure and physical properties","Journal of Solid State Chemistry","2015","222","","44","52","10.1016/j.jssc.2014.11.004","","","0.7107","MoKα","","0.0361","0.0295","","","0.06","0.063","","","","","","1.068","","","","has coordinates,has Fobs","264543","2021-04-26","09:36:32",""
"1564946","7.03","0.0009","16.147","0.002","11.1214","0.0019","90","","90","","90","","1262.4","0.3","293","2","293","2","","","969500","","","Pressurized to 1.0 GPa and left to stabilize over 24 hours.","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.1323","0.0652","","","0.1388","0.1616","","","","","","1.022","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564947","7.0202","0.0015","16.0775","0.0018","11.161","0.0016","90","","90","","90","","1259.7","0.4","295.4","0.9","295.4","0.9","","","1157500","","","Pressurized to 1.2 GPa and left to stabilize over 24 hours.","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.1502","0.0753","","","0.1626","0.1997","","","","","","0.992","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564948","6.9714","0.0016","16.139","0.005","11.072","0.003","90","","90","","90","","1245.7","0.6","294","2","294","2","","","1298000","","","Pressurized to 1.3 GPa and left to stabilize over 24 hours.","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.1909","0.0892","","","0.2154","0.2581","","","","","","1.012","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1565761","16.086","0.003","22.565","0.004","4.4482","0.0007","90","","90","","90","","1614.6","0.5","102","2","102","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C12 H20 N2 Pb S4 -","- C12 H20 N2 Pb S4 -","- C48 H80 N8 Pb4 S16 -","4","1","","Mlowe, Sixberth; Shombe, Ginena B.; Akerman, Matthew P.; Mubofu, Egid B.; O'Brien, Paul; Mashazi, Philani; Nyokong, Tebello; Revaprasadu, Neerish","Morphological influence of deposition routes on lead sulfide thin films","Inorganica Chimica Acta","2019","498","","119116","","10.1016/j.ica.2019.119116","","","0.71073","MoKα","","0.0226","0.0202","","","0.042","0.0427","","","","","","0.909","","","","has coordinates","271414","2021-12-14","10:44:28",""
"1570108","5.2289","0.0004","14.2548","0.0009","5.4291","0.0004","90","","90","","90","","404.67","0.05","","","298","","","","126000000","","","","","3","P n 21 a","P -2ac -2n","33","Ca2Fe2O5 high-pressure phase at 12.6 GPa","","high-pressure form of srebrodolskite","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","1","","Kuwamura, R.; Takagi, S.; Kyono, A.","Pressure-induced phase transition of oxygen defective perovskite srebrodolskite Ca2Fe2O5 @ 12.6 GPa","Journal of Mineralogical and Petrological Sciences","2023","","","1","9","10.2465/jmps.230422","","","","","","","","","","","","","","","","","","","","","has coordinates","286960","2023-10-13","08:06:34",""
"2001816","7.5322","0.0007","12.652","0.002","17.985","0.004","90","","90","","90","","1713.9","0.5","298","3","","","","","","","","","","6","P n 21 a","P -2ac -2n","","","","","- C13 H21 Cu N5 O2 S -","- C14 H19 Cu N5 O2 S -","- C56 H76 Cu4 N20 O8 S4 -","4","1","AS1017","Tahirov, T. H.; Lu, T.-H.; Luh, H.; Chung, C.-S.","Structure of [3,10-dimethyl-4,9-diaza-3,9-dodecadiene-2,11-dione dioximato(1‒)](isothiocyanato)copper(II)","Acta Crystallographica Section C","1993","49","4","801","803","10.1107/S0108270192011089","","","0.7093","MoKα","","","0.034","","","0.036","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002203","26.45699","","5.501","","7.692","","90","","90","","90","","1119.5","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","Dicalcium diniobate","","- Ca2 Nb2 O7 -","- Ca2 Nb2 O7 -","- Ca16 Nb16 O56 -","8","2","","Scheunemann, K; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Ca2 Nb2 O7","Journal of Inorganic and Nuclear Chemistry","1974","36","","1965","1970","10.1016/0022-1902(74)80709-8","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002206","7.67","","5.89","","10.39","","90","","90","","90","","469.4","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","Dibarium chromate(IV)","","- Ba2 Cr O4 -","- Ba2 Cr O4 -","- Ba8 Cr4 O16 -","4","1","","Mattausch, H J; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Ba2 Cr O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1974","407","","129","134","10.1002/zaac.19744070202","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2007855","15.096","0.004","7.329","0.002","16.176","0.004","90","","90","","90","","1789.7","0.8","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","(1-Methylimidazole-N^3^)triphenylboron","","- C22 H21 B N2 -","- C22 H21 B N2 -","- C88 H84 B4 N8 -","4","1","QA0057","Bélanger, Suzanne; Beauchamp, André L.","(1-Methylimidazole-<i>N</i>^3^)triphenylboron","Acta Crystallographica Section C","1998","54","11","IUC9800057","","10.1107/S0108270198099223","","","1.54056","CuKα","","0.073","0.037","","0.078","","0.068","","","0.95","","","0.96","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008940","13.006","0.001","10.648","0.001","6.619","0.001","90","","90","","90","","916.65","0.18","293","2","296.2","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","potassium niobium alminium arsenate","","- Al As1.6 K2 Nb1.4 O10 -","- Al As1.6 K2 Nb1.4 O10 -","- Al4 As6.4 K8 Nb5.6 O40 -","4","1","OH1112","Takeshi Nakagawa; Takeo Matsumoto; Valery I. Chani; Tsuguo Fukuda","K~2~NbAlO~2~[(As,Nb)O~4~]~2~, isostructural with KTiOPO~4~","Acta Crystallographica Section C","1999","55","9","1391","1393","10.1107/S0108270199005144","","","0.71069","MoKα","","","0.023","","","","0.034","","","1.991","","","1.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009539","15.995","0.005","12.958","0.007","9.732","0.004","90","","90","","90","","2017.1","1.5","298","","","","","","","","","","","5","P n 21 a","P -2ac -2n","","","","","- C12 H9 O10 Os3 P -","- C14 O10 Os3 P -","- C56 O40 Os12 P4 -","4","1","HU1044","Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M.","A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands","Acta Crystallographica Section C","1994","50","3","371","375","10.1107/S010827019300767X","","","0.71073","MoKα","","","0.0444","","","0.0477","","","","","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009689","9.65","0.1","6.33","0.15","7.17","0.14","90","","90","","90","","438","14","110","3","","","","","","","","","","4","P n 21 a","P -2ac -2n","","","","","- C3 H7 N O -","- C3 H7 N O -","- C12 H28 N4 O4 -","4","1","DU1056","Hamzaoui, F.; Baert, F.","X-ray study of static disorder in <i>N</i>-methylacetamide","Acta Crystallographica Section C","1994","50","5","757","759","10.1107/S0108270193010832","","","0.71069","MoKα","","","0.066","","","0.066","","","","","1.12","1.12","","","","","has coordinates,has disorder","190723","2020-10-21","18:00:00",""
"2021787","19.564","0.008","5.397","0.002","17.161","0.007","90","","90","","90","","1812","1.2","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Barium yttrium fluoridozirconate","","- Ba4 F23 Y Zr3 -","- Ba4 F23 Y Zr3 -","- Ba16 F92 Y4 Zr12 -","4","1","KU3252","Laval, Jean-Paul; Taoudi, Abdelkrim","Ba~4~YZr~3~F~23~ and Ba~4~LnZr~3~F~23~: a new noncentrosymmetric potential host structure type for optical devices","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013081","","","0.7107","MoKα","","0.0413","0.0281","","","0.0384","0.041","","","","","","1.031","","","","has coordinates,has Fobs","219110","2020-10-21","18:00:00",""
"2100005","10.8548","0.0002","9.752","0.0001","6.1152","0.0001","90","","90","","90","","647.331","0.017","363","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","4-piperidinic acid","piperidine-4-carboxylic acid","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","AV5021","Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli","Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid","Acta Crystallographica Section B","2005","61","1","96","102","10.1107/S0108768104031738","","","0.334971","Synchrotron","","","","","","","","","","2.37","","","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100787","14.474","0.002","21.953","0.002","8.203","0.001","90","","90","","90","","2606.5","0.5","","","","","","","","","","","","5","P n 21 a","","","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","AB0256","Caria, M. R.; Mohamed, R.","Positive indentification of two orthorhombic polymorphs of sulfamerazine (C~11~H~12~N~4~O~2~S), their thermal analyses and structural comparison","Acta Crystallographica Section B","1992","48","4","492","498","10.1107/S0108768192000910","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101103","14.837","0.004","12.457","0.002","12.505","0.002","90","","90","","90","","2311.2","0.8","","","","","","","","","","","","2","P n 21 a","P -2ac -2n","","","","","- Al28 Mn11 -","- Al29 Mn10 -","- Al116 Mn40 -","4","1","ST0614","Shi, N. C.; Li, X. Z.; Ma, Z. S.; Kuo, K. H.","Crystalline phases related to a decagonal quasicrystal. I. A single-crystal X-ray diffraction study of the orthorhombic Al~3~Mn phase","Acta Crystallographica Section B","1994","50","1","22","30","10.1107/S0108768193008729","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101607","10.905","0.009","10","0.01","10.8","0.01","90","","90","","90","","1177.7","1.9","35","","","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C5 Ca Cl2 D15 N O4 -","- C5 Ca Cl2 D15 N O4 -","- C20 Ca4 Cl8 D60 N4 O16 -","4","1","HR0028","Ezpeleta, J. M.; Zúñiga, F. J.; Paulus, W.; Cousson, A.; Hlinka, J.; Quilichini, M.","Structures of room-temperature and ferroelectric (35 K) phases of deuterated betaine calcium chloride dihydrate","Acta Crystallographica Section B","1996","52","5","810","816","10.1107/S0108768195015801","","neutron","0.8308","neutron","","","0.042","","","0.042","","","","","3.76","3.76","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105588","19.513","0.006","8.083","0.002","4.046","0.002","90","","90","","90","","638.1","0.4","223","0.2","223","0.2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C5 H6 O S2 -","- C5 H6 O S2 -","- C20 H24 O4 S8 -","4","1","HA0185","Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.","Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents","Acta Crystallographica Section B","1999","55","6","963","974","10.1107/S0108768199003547","","","0.71073","MoKα","","0.0432","0.0424","","0.0906","0.0901","","","","1.191","1.21","1.21","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105658","10.27","0.002","7.946","0.001","13.935","0.002","90","","90","","90","","1137.2","0.3","295","2","295","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- Br4 Cs2 Hg -","- Br4 Cs2 Hg -","- Br16 Cs8 Hg4 -","4","1","SH0100","Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L.","Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases","Acta Crystallographica Section B","1998","54","3","197","203","10.1107/S0108768197012032","","","0.5608","AgKα","","","0.0414","","","0.0347","","","","","1.14","1.14","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106202","9.185","","9.326","","5.749","","90","","90","","90","","492.455","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","P O Cl3","","- Cl3 O P -","- Cl3 O P -","- Cl12 O4 P4 -","4","1","","Olie, K.","The crystal structure of P O Cl3","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1459","1460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106459","20.39","","7.399","","12.84","","90","","90","","90","","1937.11","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","K2 Fe F5","","- F5 Fe K2 -","- F5 Fe K2 -","- F80 Fe16 K32 -","16","4","","Vlasse, M.; Matejka, G.; Tressaud, A.; Wanklyn, B.M.","The crystal structure of K2 Fe F5","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3377","3380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107391","9.82","","7.04","","5.36","","90","","90","","90","","370.552","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","(Cd4 Na (V O4)3).3333","","- Cd1.3332 Na0.3333 O3.9996 V0.9999 -","- Cd1.3333 Na0.3333 O4 V -","- Cd5.3332 Na1.3332 O16 V4 -","4","1","","Ben Amara, M.; Vlasse, M.; Olazcuaga, R.; le Flem, G.","The Crystal Structure of Cadmium Sodium Orthovanadate Cd4 Na (V O4)3","Acta Crystallographica B (24,1968-38,1982)","1979","35","","50","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2202287","6.6451","0.0001","7.5873","0.0002","14.1809","0.0003","90","","90","","90","","714.98","0.03","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Tridadolinium niobium trisulfide tetraoxide","","- Gd3 Nb O4 S3 -","- Gd3 Nb O4 S3 -","- Gd12 Nb4 O16 S12 -","4","1","BR6101","Kabbour, Houria; Cario, Laurent; Deudon, Catherine; Meerschaut, Alain","A gadolinium and niobium oxide sulfide, Gd~3~NbS~3~O~4~","Acta Crystallographica Section E","2003","59","7","i101","i102","10.1107/S1600536803013035","","","0.71069","MoKα","","0.0368","0.0297","","","0.0581","0.0606","","","","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2202464","6.409","0.001","13.062","0.001","14.842","0.001","90","","90","","90","","1242.5","0.2","293","2","293","","","","","","","","","5","P n 21 a","P -2ac -2n","33","o-Vanillin chlorophenyl imine","3-methoxysalicylidene-2-chloroaniline","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","CI6231","Savarimuthu Francis; Packianathan Thomas Muthiah; Galmari Venkatachalam; Rengan Ramesh","2-Chloro-(3-methoxysalicylidene)aniline","Acta Crystallographica Section E","2003","59","7","o1045","o1047","10.1107/S1600536803013606","","","1.5418","CuKα","","0.0527","0.0501","","","0.1403","0.144","","","","","","1.055","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208487","7.181","0.002","7.75","0.002","17.994","0.003","90","","90","","90","","1001.4","0.4","296","2","296","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","2-Amino-4-(4'-methoxyphenyl)-1,3-thiazole","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C40 H40 N8 O4 S4 -","4","1","AT2018","Hökelek, Tuncer; Seferoğlu, Zeynel; Ertan, Nermin","2-Amino-4-(4-methoxyphenyl)-1,3-thiazole","Acta Crystallographica Section E","2006","62","4","o1609","o1611","10.1107/S1600536806010610","","","1.54184","CuKα","","0.091","0.0684","","","0.1675","0.187","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210964","13.28","0.001","13.02","0.001","9.444","0.0002","90","","90","","90","","1632.92","0.18","190","2","190","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","3,5-Bis(2-fluorophenyl)-1-isopropyl-1,3,5-triazacyclohexane","","","- C18 H21 F2 N3 -","- C18 H21 F2 N3 -","- C72 H84 F8 N12 -","4","1","DN2070","Latreche, Saida; Bouchemma, Ahcene; Bouacida, Sofiane; Mousser, Henia; Mousser, Abdelhamid","3,5-Bis(2-fluorophenyl)-1-isopropyl-1,3,5-triazacyclohexane","Acta Crystallographica Section E","2006","62","11","o4960","o4962","10.1107/S160053680604147X","","","0.71073","MoKα","","0.0505","0.044","","","0.1191","0.1244","","","","","","1.033","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2213444","7.6026","0.0002","14.7425","0.0004","15.6862","0.0004","90","","90","","90","","1758.13","0.08","296","2","100","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","(E)-3-(2-Ethoxyquinolin-3-yl)-1-(2-hydroxy-6-methylphenyl)prop-2-en-1-one","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","LH2342","Abdelmalek Bouraiou; Ali Belfaitah; Sofiane Bouacida; Patricia Benard-Rocherulle; Bertrand Carboni","(<i>E</i>)-3-(2-Ethoxyquinolin-3-yl)-1-(2-hydroxy-6-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","5","o2133","o2135","10.1107/S1600536807014699","","","0.71073","MoKα","","0.0567","0.0326","","","0.0741","0.0852","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215730","28.717","0.004","11.5393","0.0014","4.666","0.0006","90","","90","","90","","1546.2","0.3","293","2","293","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","","Chlorido{1-[2-(methylsulfanyl)phenyldiazenyl]naphtholato-κ^3^O,N,S}nickel(II)","","- C17 H13 Cl N2 Ni O S -","- C17 H13 Cl N2 Ni O S -","- C68 H52 Cl4 N8 Ni4 O4 S4 -","4","1","AT2422","Das, Purak; Biswas, Achintesh Narayan","Chlorido{1-[2-(methylsulfanyl)phenyldiazenyl]naphtholato-κ^3^<i>O</i>,<i>N</i>,<i>S</i>}nickel(II)","Acta Crystallographica Section E","2007","63","11","m2740","m2740","10.1107/S1600536807049719","","","0.71073","MoKα","","0.0504","0.0453","","","0.1026","0.1134","","","","","","1.187","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2230219","17.6364","0.0007","29.0183","0.0015","11.6701","0.0005","90","","90","","90","","5972.5","0.5","120","2","120","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol","","- C17 H26 O -","- C17 H25 O -","- C272 H400 O16 -","16","4","BG2389","Faust, Rüdiger; Nauroozi, Djawed; Bruhn, Clemens; Koch, Britta; Kuhlich, Paul; Piechotta, Christian; Nehls, Irene","(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN","Acta Crystallographica Section E","2011","67","6","o1462","o1463","10.1107/S1600536811018009","","","0.71073","MoKα","","0.0727","0.0607","","","0.1649","0.1733","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238720","38.8025","0.001","9.7675","0.0002","6.09571","0.00013","90","","90","","90","","2310.29","0.09","173","2","173","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","Bis-[1-(benzo[1,3]dioxol-5-yl-methyl)piperazinyl]methane","Bis{4-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methane","","- C25 H32 N4 O4 -","- C25 H32 N4 O4 -","- C100 H128 N16 O16 -","4","1","FJ2646","Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet","Bis{4-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methane","Acta Crystallographica Section E","2013","69","11","o1669","","10.1107/S1600536813028109","","","1.54184","CuKα","","0.0454","0.0411","","","0.104","0.1077","","","","","","1.022","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2300267","12.70615","0.00016","8.84589","0.00009","4.73876","0.00004","90","","90","","90","","532.623","0.01","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C2 D11 N O2 -","- C2 D11 N O2 -","- C8 D44 N4 O8 -","4","1","","Fortes, A. D.; Wood, I. G.; Knight, K. S.","The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K","Journal of Applied Crystallography","2010","43","2","328","336","10.1107/S0021889810005595","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300269","12.90413","0.00016","8.96975","0.00008","4.79198","0.00004","90","","90","","90","","554.656","0.01","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C2 D11 N O2 -","- C2 D11 N O2 -","- C8 D44 N4 O8 -","4","1","","Fortes, A. D.; Wood, I. G.; Knight, K. S.","The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K","Journal of Applied Crystallography","2010","43","2","328","336","10.1107/S0021889810005595","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"4002341","17.991","","6.648","","10.765","","90","","90","","90","","1287.54","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Na4 Mn3 (P O4)2 (P2 O7)","","- Mn3 Na4 O15 P4 -","- Mn3 Na4 O15 P4 -","- Mn12 Na16 O60 P16 -","4","1","","Sanz, F.; Parada, C.; Rojo, J.M.; Ruiz-Valero, C.","Synthesis, structural characterization, magnetic properties, and ionic conductivity of Na4 M(II)3 (P O4)2 (P2 O7) (M(II) = Mn, Co, Ni)","Chemistry of Materials (1,1989-)","2001","13","","1334","1340","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4023908","8.9981","0.0004","13.919","0.0005","21.4328","0.0008","90","","90","","90","","2684.34","0.18","120","","120","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C31 H26 Cl3 N S2 -","- C31 H26 Cl3 N S2 -","- C124 H104 Cl12 N4 S8 -","4","1","","Peng Gao; Xinliang Feng; Xiaoyin Yang; Volker Enkelmann; Martin Baumgarten; Klaus Müllen","Conjugated Ladder-Type Heteroacenes Bearing Pyrrole and Thiophene Ring Units: Facile Synthesis and Characterization","Journal of Organic Chemistry","2008","73","","9207","9213","10.1021/jo801898g","","","0.71073","MoKα","","0.0303","0.0303","","0.0345","0.0345","0.0345","","","","","","0.9996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024815","8.3807","0.0001","8.5672","0.0002","21.6908","0.0004","90","","90","","90","","1557.38","0.05","150","","150","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0436","0.0372","","0.0811","0.0749","0.0721","","","","","","0.9766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028493","20.1281","0.0017","14.9938","0.0016","8.0453","0.0007","90","","90","","90","","2428","0.4","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C104 H136 N24 O8 -","8","2","","Manman Sun; Tianshui Zhang; Weiliang Bao","FeCl3-Catalyzed Cascade Cyclization in One Pot: Synthesis of Ring-Fused Tetrahydroquinoline Derivatives from Arylamines and N-Substituted Lactams","Journal of Organic Chemistry","2013","78","","8155","8160","10.1021/jo400979h","","","0.71073","MoKα","","0.1181","0.0928","","","0.2086","0.2376","","","","","","1.049","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4031225","11.864","","6.878","","14.192","","90","","90","","90","","1158.08","","","","","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","(Ru (N H3)5 (N O)) Cl3 (H2 O)","","- Cl3 H17 N6 O2 Ru -","- Cl3 H17 N6 O2 Ru -","- Cl12 H68 N24 O8 Ru4 -","4","1","","Bottomley, F.","Reinvestigation of the Crystal and Molecular Structures of Pentaamminenitrosylruthenium Trichloride Hydrate and trans-Tetra-amminehydroxonitrosylruthenium Dichloride","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1974","1974","","1600","1605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4035409","13.6553","0.0003","20.2125","0.0005","11.5578","0.0003","90","","90","","90","","3190.04","0.13","100","2","100","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","2","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.059","0.0567","","","0.1457","0.1507","","","","","","1.057","","","","has coordinates","226867","2020-10-21","18:00:00",""
"4036575","20.9274","0.001","15.0038","0.0006","6.3388","0.0004","90","","90","","90","","1990.32","0.18","291.73","0.1","291.73","0.1","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C27 H26 O -","- C27 H26 O -","- C108 H104 O4 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","x-ray","0.71073","MoKα","","0.1198","0.0816","","","0.2159","0.2766","","","","","","1.051","","","","has coordinates","234894","2020-10-21","18:00:00",""
"4078113","29.188","0.008","10.387","0.003","9.599","0.003","90","","90","","90","","2910.2","1.5","296","2","296","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C31 H16 O9 W3 -","- C31 H16 O9 W3 -","- C124 H64 O36 W12 -","4","1","","Lynch, Thomas J.; Carroll, James M.; Helvenston, Merritt C.; Tisch, Theodore L.; Rheingold, Arnold L.; Staley, Donna L.; Mahmoudkhani, Amir","Trindenyl Trimolybdenum and Tritungsten Complexes: Crystal Structure of (trindenyl)[(OC)3W‒W(CO)3]W(CO)3Bn","Organometallics","2012","31","8","3300","","10.1021/om3001263","","","0.71073","MoKα","","0.0393","0.0393","","","0.1132","0.1132","","","","","","0.742","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4079977","8.0583","0.0001","14.1389","0.0002","16.3291","0.0002","90","","90","","90","","1860.46","0.04","150","2","150","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","Chlorido(η^6^-p-cymene)(tta-κ^2^O,O)ruthenium(II)","Chlorido(η^6^-p-isopropyltoluene)(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-κ^2^O,O)ruthenium(II)","","- C18 H18 Cl F3 O2 Ru S -","- C18 H18 Cl F3 O2 Ru S -","- C72 H72 Cl4 F12 O8 Ru4 S4 -","4","1","","Seršen, Sara; Kljun, Jakob; Požgan, Franc; Štefane, Bogdan; Turel, Iztok","Novel Organoruthenium(II) β-Diketonates as Catalysts for Ortho Arylation via C‒H Activation","Organometallics","2013","32","2","609","","10.1021/om3011189","","","0.71069","MoKα","","0.022","0.0197","","","0.0453","0.0464","","","","","","1.072","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4082364","13.7555","0.0018","13.7861","0.0018","14.1954","0.0019","90","","90","","90","","2691.9","0.6","298","2","298","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C24 H29 Cl F6 Ir P S2 -","- C24 H29 Cl F6 Ir P S2 -","- C96 H116 Cl4 F24 Ir4 P4 S8 -","4","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.","(η5-Cp*)Rh(III)/Ir(III) Complexes with Bis(chalcogenoethers) (E, E′ Ligands: E = S/Se; E′ = S/Se): Synthesis, Structure, and Applications in Catalytic Oppenauer-Type Oxidation and Transfer Hydrogenation","Organometallics","2014","33","4","983","","10.1021/om401150s","","","0.71073","MoKα","","0.0231","0.021","","","0.0509","0.0517","","","","","","1.055","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4087316","9.733","0.002","10.254","0.002","27.719","0.006","90","","90","","90","","2766.4","1","173","2","173.15","","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C20 H39 Cr F6 N3 P Sb -","- C20 H39 Cr F6 N3 P Sb -","- C80 H156 Cr4 F24 N12 P4 Sb4 -","4","1","","Aldrich, Kelly E.; Billow, Brennan S.; Holmes, Daniel; Bemowski, Ross D.; Odom, Aaron L.","Weakly Coordinating yet Ion Paired: Anion Effects on an Internal Rearrangement","Organometallics","2017","36","7","1227","","10.1021/acs.organomet.6b00839","","","0.71073","MoKα","","0.0623","0.039","","","0.0657","0.074","","","","","","1.042","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4088701","21.4176","0.0002","33.1623","0.0004","9.16578","0.00011","90","","90","","90","","6510.06","0.13","150","2","150","2","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C35 H45 B F4 P Rh -","- C35 H45 B F4 P Rh -","- C280 H360 B8 F32 P8 Rh8 -","8","2","","Martínez de Salinas, Sara; Díez, Josefina; Falvello, Larry R.; González, Javier; Gamasa, M. Pilar; Lastra, Elena","Intramolecular C‒C Coupling Reactions of Alkynyl, Vinylidene, and Alkenylphosphane Ligands in Rhodium(III) Complexes","Organometallics","2016","35","17","2793","","10.1021/acs.organomet.6b00330","","","1.54184","CuKα","","0.0535","0.0482","","","0.1301","0.1371","","","","","","1.023","","","","has coordinates,has disorder","237778","2020-10-21","18:00:00",""
"4089221","15.5975","0.0007","12.4727","0.0006","17.9014","0.0008","90","","90","","90","","3482.6","0.3","100","","100","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C41 H31 Cl3 Ir N3 O2 -","- C41 H31 Cl3 Ir N3 O2 -","- C164 H124 Cl12 Ir4 N12 O8 -","4","1","","Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming","Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications","Organometallics","2017","36","7","1331","","10.1021/acs.organomet.7b00038","","x-ray","1.54178","CuKα","","0.0242","0.0228","","","0.0563","0.0569","","","","","","1.073","","","","has coordinates","238044","2020-10-21","18:00:00",""
"4101640","22.3571","0.0005","23.4069","0.0005","21.3354","0.0004","90","","90","","90","","11165","0.4","120","","120","","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C53 H93 Co N5 O2 P3 Zr -","- C53 H93 Co N5 O2 P3 Zr -","- C424 H744 Co8 N40 O16 P24 Zr8 -","8","2","","Greenwood, Bennett P.; Rowe, Gerard T.; Chen, Chun-Hsing; Foxman, Bruce M.; Thomas, Christine M.","Metal-metal multiple bonds in early/late heterobimetallics support unusual trigonal monopyramidal geometries at both Zr and Co.","Journal of the American Chemical Society","2010","132","1","44","45","10.1021/ja909310t","","","0.71073","MoKα","","0.0726","0.0423","","0.1114","0.088","0.1114","","","","","","0.9614","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103386","20.4563","0.0033","15.6609","0.0019","14.4447","0.0016","90","","90","","90","","4627.6","1.1","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C32 N8 O15 V3 -","- C32 N8 O15 V3 -","- C128 N32 O60 V12 -","4","1","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","0.97","","","","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4113384","21.185","0.002","6.826","0.001","5.889","0.001","90","","90","","90","","851.6","0.2","293","2","293","2","","","","","Second dipole-induced polymorph","","","3","P n 21 a","P -2ac -2n","33","trans (1R*,2R*)-2-hydroxy-1-cycloheptanecarboxylic acid form B","","","- C8 H14 O3 -","- C8 H14 O3 -","- C32 H56 O12 -","4","1","","Alajos Kálmán; László Fábián; Gyula Argay; Gábor Bernáth; Zsuzsanna Gyarmati","Dipole-Induced Polymorphs of trans-2-Hydroxycycloheptanecarboxylic Acid with Virtually the Same Unit Cell","Journal of the American Chemical Society","2003","125","","34","35","10.1021/ja0289447","","","1.54184","CUkα","","0.0403","0.0371","","","0.1227","0.1275","","","","","","1.112","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4130607","19.4469","0.0005","9.7388","0.0003","16.3359","0.0004","90","","90","","90","","3093.85","0.15","296","2","296","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0641","0.0519","","","0.1199","0.1279","","","","","","1.072","","","","has coordinates","241008","2020-10-21","18:00:00",""
"4311137","12.09","0.006","8.13","0.004","18.685","0.01","90","","90","","90","","1836.6","1.6","297","2","297","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C10 H24 Br4 Cu N2 -","- C10 H24 Br4 Cu N2 -","- C40 H96 Br16 Cu4 N8 -","4","1","","Roger D. Willett; Calin Galeriu; Christopher P. Landee; Mark M. Turnbull; Brendan Twamley","Structure and Magnetism of a Spin Ladder System: (C5H9NH3)2CuBr4","Inorganic Chemistry","2004","43","","3804","3811","10.1021/ic030317a","","","0.71073","MoKα","","0.131","0.067","","","0.1667","0.2024","","","","","","1.033","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4321033","14.943","0.004","5.638","0.002","14.229","0.003","90","","90","","90","","1198.8","0.6","190","","190","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C9 H18 Se3 -","- C9 H18 Se3 -","- C36 H72 Se12 -","4","1","","Raymond J. Batchelor; Frederick W. B. Einstein; Ian D. Gay; Jian-Hua Gu; Seema Mehta; B. Mario Pinto; Xue-Min Zhou","Synthesis, Characterization, and Redox Behavior of New Selenium Coronands and of Copper(I) and Copper(II) Complexes of Selenium Coronands","Inorganic Chemistry","2000","39","","2558","2571","10.1021/ic991345p","","","0.7093","MolybdenumKα","","","0.026","","","0.027","","","","","1.38","1.38","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329709","6.9452","0.0002","10.995","0.0003","13.7541","0.0003","90","","90","","90","","1050.3","0.05","160","2","160","2","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C9 H10 Cl N3 O2 Pt -","- C9 H10 Cl N3 O2 Pt -","- C36 H40 Cl4 N12 O8 Pt4 -","4","1","","Evangelia S. Koumousi; Marianthi Zampakou; Catherine P. Raptopoulou; Vassilis Psycharis; Christine M. Beavers; Simon J. Teat; George Psomas; Theocharis C. Stamatatos","First Palladium(II) and Platinum(II) Complexes from Employment of 2,6-Diacetylpyridine Dioxime: Synthesis, Structural and Spectroscopic Characterization, and Biological Evaluation","Inorganic Chemistry","2012","51","","7699","7710","10.1021/ic300739x","","","1.54178","CuKα","","0.0389","0.0376","","","0.0856","0.0864","","","","","","1.045","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4335300","16.4783","0.0002","18.237","0.0003","16.6378","0.0003","90","","90","","90","","4999.9","0.14","100","0.1","100","0.1","","","","","","","","8","P n 21 a","P -2ac -2n","33","","","","- C47 H26 B F24 N2 O3 Re S -","- C47 H26 B F24 N2 O3 Re S -","- C188 H104 B4 F96 N8 O12 Re4 S4 -","4","1","","Rebeca Arévalo; Julio Pérez; Lucía Riera","Intramolecular Nucleophilic Addition to the 2 Position of Coordinated 2,2'-Bipyridine by a Deprotonated Dimethyl Sulfide Ligand","Inorganic Chemistry","2013","52","","6785","6787","10.1021/ic401065h","","","1.5418","CuKα","","0.0436","0.041","","","0.1107","0.1143","","","","","","0.99","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4339715","13.571","0.002","14.106","0.006","23.625","0.003","90","","90","","90","","4523","2","293","2","293","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C20 H25 N5 Ni O7 -","- C20 H25 N5 Ni O7 -","- C160 H200 N40 Ni8 O56 -","8","2","","Paital, Alok Ranjan; Wong, Wing Tak; Aromí, Guillem; Ray, Debashis","New [LNiII2]+ complexes incorporating 2-formyl or 2,6-diformyl-4-methyl phenol as inhibitors of the hydrolysis of the ligand L3-: Ni...Ni ferromagnetic coupling and S=2 ground states.","Inorganic chemistry","2007","46","14","5727","5733","10.1021/ic700496c","","","0.71073","MoKα","","0.0775","0.0458","","","0.1314","0.1464","","","","","","1.118","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4340712","7.2442","0.0007","8.6309","0.0011","23.855","0.003","90","","90","","90","","1491.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P n 21 a","P -2ac -2n","33","","","","- C11 H13 N3 O S4 -","- C11 H13 N3 O S4 -","- C44 H52 N12 O4 S16 -","4","1","","Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Guizouarn, Thierry; Lorcy, Dominique","Hydrogen-bonding interactions in a single-component molecular conductor: a hydroxyethyl-substituted radical gold dithiolene complex.","Inorganic chemistry","2014","53","16","8755","8761","10.1021/ic501437g","","x-ray","0.71073","MoKα","","0.0459","0.0427","","","0.1046","0.1074","","","","","","1.028","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4343779","7.374","","6.811","","8.185","","90","","90","","90","","411.086","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","K Xe O3 F","","- F K O3 Xe -","- F K O3 Xe -","- F4 K4 O12 Xe4 -","4","1","","Hodgson, D.J.; Ibers, J.A.","The crystal and molecular structure of potassium monofluoroxenate(VI), K Xe O3 F","Inorganic Chemistry","1969","8","","326","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4349389","12.4432","0.0004","7.6628","0.0003","12.5705","0.0004","90","","90","","90","","1198.59","0.07","690","","690","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","?NaCs(B12H12)?","- B12 Cs H12 Na -","- B12 Cs H12 Na -","- B48 Cs4 H48 Na4 -","4","1","","Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan","Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.","Inorganic chemistry","2017","56","9","5006","5016","10.1021/acs.inorgchem.7b00013","powder diffraction","","0.69852","synchrotron","","","","","","","","","0.02","19","","","","","","","has coordinates","233923","2020-10-21","18:00:00",""
"4349392","12.405","0.01","7.237","0.006","12.101","0.008","90","","90","","90","","1086.4","1.4","300","","300","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","?o-LiCs(B12H12)?","- B12 Cs H12 Li -","- B12 Cs H12 Li -","- B48 Cs4 H48 Li4 -","4","1","","Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan","Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.","Inorganic chemistry","2017","56","9","5006","5016","10.1021/acs.inorgchem.7b00013","powder diffraction","","0.82103","synchrotron","","","","","","","","","0.04","41","","","","","","","has coordinates","233929","2020-10-21","18:00:00",""
"4501787","28.697","0.004","15.767","0.002","5.108","0.0007","90","","90","","90","","2311.2","0.5","100","2","100","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","3-(N9-adeninyl)propanoic acid.HCl","6-amino-9-(2-carboxyethyl)-9H-purin-1-ium chloride","","- C8 H12 Cl N5 O3 -","- C8 H12 Cl N5 O3 -","- C64 H96 Cl8 N40 O24 -","8","2","","Kumar, Jitendra; Awasthi, Shubhra; Verma, Sandeep","Contrasting Crystallographic Signatures of 9-Carboxypropyl Adeninium Cation: Adenine Dimerization vs Carboxylic Group Interaction","Crystal Growth & Design","2010","10","8","3555","","10.1021/cg100470u","","","0.71073","MoKα","","0.0718","0.0551","","","0.1362","0.152","","","","","","1.014","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4510640","7.0587","0.0012","12.432","0.002","19.09","0.004","90","","90","","90","","1675.2","0.5","223","2","223","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C16 H10 Ba2 O10 -","- C16 H10 Ba2 O10 -","- C64 H40 Ba8 O40 -","4","1","","Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu","Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands","Crystal Growth & Design","2013","13","7","2965","","10.1021/cg4003803","","","0.71075","MoKα","","0.0162","0.0156","","","0.0412","0.0414","","","","","","1.131","","","","has coordinates","179653","2020-10-21","18:00:00",""
"7002885","20.3995","0.0006","7.06565","0.00009","5.45584","0.00011","90","","90","","90","","786.38","0.03","293","","","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C7 H4 Eu O5 P -","- C7 H4 Eu O5 P -","- C28 H16 Eu4 O20 P4 -","4","1","","Rueff, Jean-Michel; Barrier, Nicolas; Boudin, Sophie; Dorcet, Vincent; Caignaert, Vincent; Boullay, Philippe; Hix, Gary B.; Jaffrès, Paul-Alain","Remarkable thermal stability of Eu(4-phosphonobenzoate): structure investigations and luminescence properties","Dalton Transactions","2009","","47","10614","10620","10.1039/b913590c","powder diffraction","","1.54059","X-ray","","","","","","","","","12.2435","","","","","","","","has coordinates","179732","2020-10-21","18:00:00",""
"7030806","22.239","0.002","14.025","0.002","7.391","0.001","90","","90","","90","","2305.3","0.5","298","","298","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","RUB-36","","","- C24 H68 N4 O76 Si36 -","- C34.6666 N4 O76 Si36 -","- C34.6666 N4 O76 Si36 -","1","0.25","","Marler, B.; Wang, Y.; Song, J.; Gies, H.","Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10396","10416","10.1039/c4dt00262h","powder diffraction","","1.13141","synchrotron","","","","","","","","","6.4717","1.67","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030808","22.281","0.002","14","0.002","7.383","0.001","90","","90","","90","","2303","0.5","298","","298","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","RUB-48","","","- C24 H68 N4 O76 Si36 -","- C33.184 N3.892 O76 Si36 -","- C33.184 N3.892 O76 Si36 -","1","0.25","","Marler, B.; Wang, Y.; Song, J.; Gies, H.","Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10396","10416","10.1039/c4dt00262h","powder diffraction","","1.5406","CuKα1","","","","","","","","","4.721","1.86","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7035015","8.889","0.005","7.407","0.005","30.467","0.005","90","","90","","90","","2006","1.8","293","2","293","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C18 H14 Mn N4 O9 -","- C18 H14 Mn N4 O9 -","- C72 H56 Mn4 N16 O36 -","4","1","","Kar, Paramita; Ida, Yumi; Kanetomo, Takuya; Drew, Michael G. B.; Ishida, Takayuki; Ghosh, Ashutosh","Synthesis of mixed-valence hexanuclear Mn(ii/iii) clusters from its Mn(ii) precursor: variations of catecholase-like activity and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9795","9804","10.1039/c5dt00709g","","","0.71073","MoKα","","0.0794","0.069","","","0.1892","0.1976","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7038409","9.3473","0.0004","12.3349","0.0005","20.0843","0.0008","90","","90","","90","","2315.68","0.16","120","2","120","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C29 H29 N2 O2 Pt -","- C29 H29 N2 O2 Pt -","- C116 H116 N8 O8 Pt4 -","4","1","","Yamamura, M.; Takizawa, H.; Gobo, Y.; Nabeshima, T.","Stable neutral radicals of planar N2O2-type dipyrrin platinum complexes: hybrid radicals of the delocalized organic π-orbital and platinum d-orbital.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6834","6838","10.1039/c5dt05039a","","","0.71073","MoKα","","0.0396","0.0319","","","0.0727","0.0763","","","","","","1.019","","","","has coordinates","182709","2020-10-21","18:00:00",""
"7046591","14.0879","0.0007","14.8963","0.0009","19.6006","0.0012","90","","90","","90","","4113.3","0.4","100","","100","","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C37 H19 F18 N2 O8 V Y -","- C37 H14 F18 N2 O8 V Y -","- C148 H56 F72 N8 O32 V4 Y4 -","4","1","","Hickson, James R.; Horsewill, Samuel J.; Bamforth, Christopher; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","The modular synthesis of rare earth-transition metal heterobimetallic complexes utilizing a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10692","10701","10.1039/c8dt01262h","","","0.71073","MoKα","","0.103","0.0687","","","0.1852","0.218","","","","","","1.024","","","","has coordinates,has disorder","229824","2020-10-21","18:00:00",""
"7047642","14.1106","0.0009","9.7939","0.0006","15.4646","0.0008","90","","90","","90","","2137.2","0.2","173","2","173","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C26 H20 B N O4 -","- C26 H20 B N O4 -","- C104 H80 B4 N4 O16 -","4","1","","Li, Kang; Cui, Jichun; Yang, Zeren; Huo, Yanmin; Duan, Wenzeng; Gong, Shuwen; Liu, Zhipeng","Solvatochromism, acidochromism and aggregation-induced emission of propeller-shaped spiroborates.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15002","15008","10.1039/c8dt03374a","","","1.54184","CuKα","","0.0644","0.044","","","0.0923","0.1085","","","","","","0.951","","","","has coordinates","229482","2020-10-21","18:00:00",""
"7048919","7.1753","0.0014","10.353","0.002","16.497","0.003","90","","90","","90","","1225.5","0.4","293","2","293","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C8 H11 Eu O11 S -","- C8 H11 Eu O11 S -","- C32 H44 Eu4 O44 S4 -","4","1","","Che, Xue-Jing; Hou, Sheng-Li; Shi, Ying; Yang, Guo-Li; Hou, Yin-Ling; Zhao, Bin","Selectively detecting toluene and benzaldehyde by two stable lanthanide-organic frameworks as luminescent probes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3453","3458","10.1039/c8dt05108a","","","0.71073","MoKα","","0.0275","0.0241","","","0.0649","0.1024","","","","","","1.282","","","","has coordinates,has disorder","223811","2020-10-21","18:00:00",""
"7050469","10.451","0.002","9.45","0.002","24.193","0.006","90","","90","","90","","2389.3","0.9","293","2","293","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C8 H8 Ag2 B2 F8 N6 O -","- C8 H6 Ag2 B2 F8 N6 O -","- C32 H24 Ag8 B8 F32 N24 O4 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","Silver(i) polymeric coordination frameworks assembled with the new multimodal ligand 2,2'-azobispyrazine","New Journal of Chemistry","2003","27","3","483","","10.1039/b209580g","","","0.71073","MoKα","","0.1259","0.0981","","0.2959","0.2773","","","","1.136","","","","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7053036","15.341","0.003","29.058","0.006","5.1928","0.001","90","","90","","90","","2314.8","0.8","150","2","150","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C16 H14 S12 -","- C16 H14 S12 -","- C64 H56 S48 -","4","1","","Camerel, Franck; Jeannin, Olivier; Yzambart, Gilles; Fabre, Bruno; Lorcy, Dominique; Fourmigué, Marc","Redox-active proligands from the direct connection of 1,3-dithiol-2-one to tetrathiafulvalene (TTF): syntheses, characterizations and metal complexation","New Journal of Chemistry","2013","37","4","992","","10.1039/c3nj41097h","","","0.71073","MoKα","","0.0891","0.0646","","","0.1468","0.1655","","","","","","1.058","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7055162","19.0018","0.0005","46.9211","0.0012","9.3659","0.0003","90","","90","","90","","8350.5","0.4","190","","190","","","","101","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C86 H89 N3 O12 S8 -","- C86 H89 N3 O12 S8 -","- C344 H356 N12 O48 S32 -","4","1","","Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.","Arylation of thiacalix[4]arenes using organomercurial intermediates","New J. Chem.","2016","40","2","1104","","10.1039/C5NJ02427G","","","1.54184","CuKα","","0.0628","0.0526","","0.1386","0.123","0.1384","","","","","","0.9025","","","","has coordinates,has disorder","177898","2020-10-21","18:00:00",""
"7055414","16.979","0.001","10.3445","0.0009","15.9847","0.001","90","","90","","90","","2807.5","0.3","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","2","","Palakollu, Veerabhadraiah; Vasu, Anuji K.; Thiruvenkatam, Vijay; Kanvah, Sriram","A sensitive AIEE probe for amphiphilic compounds","New J. Chem.","2016","40","5","4588","","10.1039/C5NJ02398J","","","1.54184","CuKα","","0.0609","0.0566","","","0.1344","0.1407","","","","","","1.13","","","","has coordinates","183744","2020-10-21","18:00:00",""
"7057091","13.3765","0.0011","15.2044","0.0012","19.531","0.0016","90","","90","","90","","3972.2","0.6","100","2","100","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C36 H37 Cl2 Mo N6 P S4 -","- C36 H37 Cl2 Mo N6 P S4 -","- C144 H148 Cl8 Mo4 N24 P4 S16 -","4","1","","Bose, Moumita; Moula, Golam; Begum, Ameerunisha; Sarkar, Sabyasachi","Synthesis and characterization of cyano and isocyano complexes of bis(dithiolato) molybdenum using Me3SiCN: a route to a cyanide-bridged multimer to a monomer","New Journal of Chemistry","2018","42","7","5580","","10.1039/C8NJ00246K","","","0.71073","MoKα","","0.0693","0.0628","","","0.1689","0.1761","","","","","","1.104","","","","has coordinates","230427","2020-10-21","18:00:00",""
"7057351","15.1562","0.0008","7.1136","0.0003","14.3096","0.0006","90","","90","","90","","1542.79","0.12","295","2","295","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C14 H6 F4 I2 N2 -","- C14 H6 F4 I2 N2 -","- C56 H24 F16 I8 N8 -","4","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0681","0.0522","","","0.1234","0.1281","","","","","","0.973","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7103977","7.3199","0.0012","9.4725","0.0016","11.636","0.002","90","","90","","90","","806.8","0.2","203","2","203","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- H2 I2 O9 Pu -","- I2 O9 Pu -","- I8 O36 Pu4 -","4","1","","","","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b211018k","","","0.71073","MoKα","","0.0184","0.0184","","","0.0442","0.0442","","","","","","1.195","","","","has coordinates","180142","2020-10-21","18:00:00",""
"7104565","11.357","0.002","8.6176","0.0017","31.532","0.006","90","","90","","90","","3086.1","1.1","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C35 H35 Ir N4 -","- C35 H35 Ir N4 -","- C140 H140 Ir4 N16 -","4","1","","Liu, Yu; Ye, Kaiqi; Fan, Yan; Song, Weifeng; Wang, Yue; Hou, Zhaomin","Amidinate-ligated iridium(III) bis(2-pyridyl)phenyl complex as an excellent phosphorescent material for electroluminescence devices.","Chemical communications (Cambridge, England)","2009","34","25","3699","3701","10.1039/b902807b","","","0.71073","MoKα","","0.0373","0.0259","","","0.0461","0.0488","","","","","","1.027","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7109064","11.149","0.005","19.6","0.005","25.468","0.005","90","0.005","90","0.005","90","0.005","5565","3","100","2","100","2","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C31 H29 Br Cl2 N2 O2 -","- C31 H29 Br Cl2 N2 O2 -","- C248 H232 Br8 Cl16 N16 O16 -","8","2","","Dattatraya H. Dethe; Raghavender Boda; Saikat Das","Cu(OTf)2 catalysed [6+2] cycloaddition reaction for the synthesis of highly substituted pyrrolo[1,2-a]indoles: rapid","Chem.Commun.","2013","49","","3260","","10.1039/c3cc40617b","","","0.71069","MoKα","","0.128","0.0747","","","0.1845","0.23","","","","","","1.061","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7115813","9.252","0.0003","10.1218","0.0003","13.0422","0.0003","90","","90","","90","","1221.36","0.06","120","","120","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","1-[2-(1H-imidazol-4-yl)ethyl]-3-(4-methylphenyl)urea","","- C13 H16 N4 O -","- C13 H16 N4 O -","- C52 H64 N16 O4 -","4","1","","Samuel J. James; Andrea Perrin; Christopher D. Jones; Dmitry S. Yufit; Jonathan W. Steed","Highly interlocked anion-bridged supramolecular networks from interrupted imidazole-urea gels","Chem.Commun.","2014","50","","12851","","10.1039/C4cc05789A","","","0.71073","MoKα","","0.0506","0.043","","","0.0957","0.1","","","","","","1.037","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7117492","27.767","","18.652","","11.678","","90","","90","","90","","6048.15","","","","","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","((C4 H9)4 N)2 (Rh5 (C O)14 I)","","- C44 I N2 O14 Rh5 -","- C44 I N2 O14 Rh5 -","- C176 I4 N8 O56 Rh20 -","4","1","","Martinengo, S.; Ciani, G.; Sironi, A.","Synthesis and X-Ray Crystal Structure of the (Rh5 (C O)8 (Mue-C O)6 I)(2-) Anion Containing A Trigonal Bipyramidal Rhodium Cluster","Journal of the Chemical Society. Chemical Communications (1972-)","1979","1979","","1059","1061","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7120393","16.8156","0.0005","6.0608","0.0001","3.6696","0.0001","90","","90","","90","","373.991","0.016","","","293","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C2 H4 N2 O2 -","- C2 N2 O2 -","- C8 N8 O8 -","4","1","","Philip Lightfoot; Maryjane Tremayne; Kenneth D. M. Harris; Peter G. Bruce","Determination of a molecular crystal structure by X-ray powder diffraction on a conventional laboratory instrument","Journal of the Chemical Society, Chemical Communications","1992","","14","1012","1013","10.1039/C39920001012","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","198534","2020-10-21","18:00:00",""
"7150721","15.0801","0.0005","18.6531","0.0007","19.704","0.0006","90","","90","","90","","5542.6","0.3","233","","","","","","","","","","Diederich laboratory","5","P n 21 a","P -2ac -2n","33","","","","- C30 H35 F2 N O3 -","- C30 H35 F2 N O3 -","- C240 H280 F16 N8 O24 -","8","2","","Fäh, Christoph; Hardegger, Leo A.; Baitsch, Lukas; Schweizer, W. Bernd; Meyer, Solange; Bur, Daniel; Diederich, François","New organofluorine building blocks: inhibition of the malarial aspartic proteases plasmepsin II and IV by alicyclic α,α-difluoroketone hydrates","Organic & Biomolecular Chemistry","2009","7","19","3947","3957","10.1039/b908489d","","","0.71073","MoKα","","0.1113","0.0824","","","0.2026","0.2229","","","","","","1.373","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152066","11.3081","0.0006","6.5772","0.0004","20.0573","0.0013","90","","90","","90","","1491.77","0.15","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","12b-Hydroxy-1,4-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","12b-Hydroxy-1,4-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj","Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.","Organic & biomolecular chemistry","2011","9","22","7643","7646","10.1039/c1ob06349a","","","0.71073","MoKα","","0.0711","0.0337","","","0.0569","0.062","","","","","","0.792","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154627","7.871","0.005","11.094","0.005","15.506","0.005","90","0.005","90","0.005","90","0.005","1354","1.1","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C14 H10 Br2 O3 -","- C14 H10 Br2 O3 -","- C56 H40 Br8 O12 -","4","1","","Choudhury, Sumit; Ahmad, Saeed; Khan, Faiz Ahmed","Effect of bridgehead substitution in the Grob fragmentation of norbornyl ketones: a new route to substituted halophenols.","Organic & biomolecular chemistry","2015","13","37","9686","9696","10.1039/c5ob01287b","","","0.71069","MoKα","","0.0828","0.0471","","","0.1135","0.1563","","","","","","1.045","","","","has coordinates","162206","2020-10-21","18:00:00",""
"7202889","17.505","0.0007","19.432","0.0015","24.759","0.0018","90","","90","","90","","8422","1","295","2","295","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C144 H38 N4 S8 -","- C144 H38 N4 S8 -","- C576 H152 N16 S32 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N.","Dimerization of C60˙‒ in multi-component ionic complexes with bis(ethylenedithio)tetrathiafulvalene: (cation+)2·ET·(C60˙‒)2","Journal of Materials Chemistry","2007","17","39","4171","","10.1039/b704371f","","","0.71073","MoKα","","0.1132","0.0706","","","0.1776","0.205","","","","","","0.972","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202890","17.218","0.0004","19.362","0.0009","24.373","0.0012","90","","90","","90","","8125.3","0.6","100","2","100","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C144 H38 N4 S8 -","- C144 H38 N4 S8 -","- C576 H152 N16 S32 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N.","Dimerization of C60˙‒ in multi-component ionic complexes with bis(ethylenedithio)tetrathiafulvalene: (cation+)2·ET·(C60˙‒)2","Journal of Materials Chemistry","2007","17","39","4171","","10.1039/b704371f","","","0.71073","MoKα","","0.1417","0.1142","","","0.3194","0.3478","","","","","","1.393","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7215662","11.945","0.0002","9.5273","0.0001","5.3438","0.0001","90","","90","","90","","608.144","0.017","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","Creatine form I","","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","powder diffraction","","1.54056","","","","","","","","","","","2.099","","","","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7223914","14.7998","","11.2379","","10.3512","","90","","90","","90","","1721.6","","298.15","","298.15","","","","","","","","flavonoids, plants, fruits","3","P n 21 a","P -2ac -2n","33","Quercetin Dehydrate","2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one","","- C15 H10 O7 -","- C60 H40 O28 -","- C240 H160 O112 -","4","1","","Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish","Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization.","CrystEngComm","2016","","","","","10.1039/C5CE01899D","powder diffraction","x-ray","1.5046","CuK/a~1~","","","","","","","","","","","","","","","","","has coordinates","174556","2020-10-21","18:00:00",""
"7225768","7.355","0.002","10.208","0.003","15.14","0.005","90","","90","","90","","1136.7","0.6","296.15","","296.15","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Wu, Fu-song; Tong, Wei; Liang, Ying; Wang, Hengshan; Teng, Qing-hu; Pan, Ying-ming","Cu(I)-Catalyzed Multicomponent Cascade Reactions of Terminal Alkynes, Unactivated Primary Alkyl Bromides, CO2 and NaN3","RSC Adv.","2016","","","","","10.1039/C6RA13080A","","","0.71073","MoKα","","0.0984","0.0591","","","0.1441","0.1692","","","","","","1.062","","","","has coordinates","184073","2020-10-21","18:00:00",""
"7227239","16.979","0.005","15.13","0.005","10.163","0.005","90","0.005","90","0.005","90","0.005","2610.8","1.7","293","2","293","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C26 H26 Fe N8 O3 -","- C26 H26 Fe N8 O3 -","- C104 H104 Fe4 N32 O12 -","4","1","","Ghosh, Kaushik; Tyagi, Nidhi; Singh, Ovender; Singh, Udai P.","Nitric oxide (NO) reactivity studies on mononuclear Iron(II) complexes supported by a tetradentate Schiff base Ligand","RSC Adv.","2016","","","","","10.1039/C6RA21659E","","","0.71073","MoKα","","0.0582","0.0367","","","0.0964","0.116","","","","","","0.813","","","","has coordinates","188971","2020-10-21","18:00:00",""
"7227550","14.3231","0.0005","23.3774","0.0006","16.4367","0.0005","90","","90","","90","","5503.6","0.3","107","","107","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","asarolignan B","","- C49 H78 O23.9 -","- C49 H78 O23.9 -","- C196 H312 O95.6 -","4","1","","Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng","Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii","RSC Adv.","2017","7","14","8512","","10.1039/C6RA27786A","","","0.71073","MoKα","","0.0967","0.0697","","","0.1642","0.1815","","","","","","1.069","","","","has coordinates,has disorder","191008","2020-10-21","18:00:00",""
"7227610","12.9695","0.0008","10.6898","0.0007","6.4932","0.0004","90","","90","","90","","900.23","0.1","","","293","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- As0.5 K O5 P0.5 Ti -","- As0.5 K O5 P0.5 Ti -","- As4 K8 O40 P4 Ti8 -","8","2","","Crennell, Susan J.; Cheetham, Anthony K; Jarman, Richard H.; Thrash, Robert J.; Kaduk, James A.","Isomorphous substitution in non-linear optical KTiOPO4: neutron powder diffraction study of KTiO(P0.5As0.5)O4","Journal of Materials Chemistry","1992","2","","383","386","10.1039/JM9920200383","powder diffraction","neutron","","ToF","","","","","","","","","","","","","","","","","has coordinates","191182","2020-10-21","18:00:00",""
"7227625","13.2382","0.0004","10.7083","0.0003","6.5581","0.0002","90","","90","","90","","929.67","0.05","","","293","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- K0.5 O5 P Rb0.5 Sn -","- K0.5 O5 P Rb0.5 Sn -","- K4 O40 P8 Rb4 Sn8 -","8","2","","Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.","Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4","Journal of Materials Chemistry","1992","2","","785","792","10.1039/JM9920200785","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.0666","","","","","","","","","has coordinates","191788","2020-10-21","18:00:00",""
"7227626","12.8826","0.0004","10.6384","0.0004","6.3898","0.0002","90","","90","","90","","875.72","0.05","","","293","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- K0.5 Na0.5 O5 P Sn0.5 Ti0.5 -","- K0.5 Na0.5 O5 P Sn0.5 Ti0.5 -","- K4 Na4 O40 P8 Sn4 Ti4 -","8","2","","Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.","Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4","Journal of Materials Chemistry","1992","2","","785","792","10.1039/JM9920200785","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.078","","","","","","","","","has coordinates","191789","2020-10-21","18:00:00",""
"7227627","13.1435","0.0005","10.6433","0.0003","6.5478","0.0003","90","","90","","90","","915.97","0.06","","","293","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- Na0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -","- Na0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -","- Na4 O40 P8 Rb4 Sn4 Ti4 -","8","2","","Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.","Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4","Journal of Materials Chemistry","1992","2","","785","792","10.1039/JM9920200785","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.1155","","","","","","","","","has coordinates","191790","2020-10-21","18:00:00",""
"7227628","13.044","0.0005","10.6304","0.0004","6.4961","0.0003","90","","90","","90","","900.77","0.06","","","293","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- K0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -","- K0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -","- K4 O40 P8 Rb4 Sn4 Ti4 -","8","2","","Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.","Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4","Journal of Materials Chemistry","1992","2","","785","792","10.1039/JM9920200785","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.0747","","","","","","","","","has coordinates","191791","2020-10-21","18:00:00",""
"7228731","10.278","0.0003","10.413","0.0016","12.405","0.0011","90","","90","","90","","1327.6","0.2","100","2","100","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","synchrotron","","0.0278","0.0277","","","0.0764","0.0764","","","","","","1.056","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7235725","9.2994","0.0009","12.5496","0.0012","17.0351","0.0016","90","","90","","90","","1988.1","0.3","293","2","293","2","","","","","","","synthesis as described","6","P n 21 a","P -2ac -2n","33","","","","- C19 H21 F5 N2 O S -","- C19 H21 F5 N2 O S -","- C76 H84 F20 N8 O4 S4 -","4","1","","Falkowska, Ewelina; Tognetti, Vincent; Joubert, Laurent; Jubault, Philippe; Bouillon, Jean-Philippe; Pannecoucke, Xavier","First efficient synthesis of SF5-substituted pyrrolidines using 1,3-dipolar cycloaddition of azomethine ylides with pentafluorosulfanyl-substituted acrylic esters and amides","RSC Advances","2015","5","9","6864","","10.1039/C4RA14075C","","x-ray","0.71073","MoKα","","0.0919","0.0555","","","0.1212","0.1393","","","","","","0.952","","","","has coordinates","233261","2020-10-21","18:00:00",""
"7236478","31.3826","0.0003","14.5065","0.0001","10.7933","0.0001","90","","90","","90","","4913.67","0.07","173","2","173","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C35 H73 Cl2 N7 O18 -","- C36 H71 Cl2 N2 O22 -","- C144 H284 Cl8 N8 O88 -","4","1","","Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Zeb, Aurang; Ji, Chengmin; Luo, Junhua","A supra-molecular switchable dielectric material with non-linear optical properties","Journal of Materials Chemistry C","2017","5","11","2865","","10.1039/C6TC05574E","","","1.54184","CuKα","","0.0642","0.0612","","","0.179","0.1836","","","","","","1.006","","","","has coordinates","235565","2020-10-21","18:00:00",""
"7239932","11.7806","0.0004","14.4288","0.0004","11.4659","0.0003","90","","90","","90","","1948.97","0.1","100","2","100","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C25 H22 N4 -","- C25 H22 N4 -","- C100 H88 N16 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0335","0.0308","","","0.0741","0.0754","","","","","","1.077","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239936","19.9809","0.0013","17.0776","0.0011","5.5951","0.0003","90","","90","","90","","1909.2","0.2","100","2","100","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C24 H21 N5 -","- C24 H21 N5 -","- C96 H84 N20 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0499","0.0435","","","0.1034","0.1085","","","","","","1.08","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7242489","10.6474","0.0013","5.8091","0.0007","24.587","0.002","90","","90","","90","","1520.8","0.3","150","2","150.01","0.1","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H22 O -","- C20 H22 O -","- C80 H88 O4 -","4","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","x-ray","1.54184","CuKα","","0.0767","0.056","","","0.1466","0.1661","","","","","","0.979","","","","has coordinates","263202","2021-03-20","05:31:13",""
"7244997","14.9633","0.0003","12.6206","0.0002","8.6067","0.0001","90","","90","","90","","1625.34","0.05","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","4-((4-hydroxy-3-methoxyphenyl)(3-hydroxy-5-methyl-1H-pyrazol-4-yl)methyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C64 H72 N16 O16 -","4","1","","Branković, Jovica; Milovanović, Vesna M.; Simijonović, Dušica; Novaković, Slađana; Petrović, Zorica D.; Trifunović, Snežana S.; Bogdanović, Goran A.; Petrović, Vladimir P.","Pyrazolone-type compounds: synthesis and in silico assessment of antiviral potential against key viral proteins of SARS-CoV-2","RSC Advances","2022","12","25","16054","16070","10.1039/D2RA02542F","","","0.71073","MoKα","","0.0354","0.0314","","","0.0824","0.085","","","","","","1.04","","","","has coordinates","275677","2022-05-28","01:07:25",""
"7702188","20.5328","0.0016","19.579","0.0015","9.3602","0.0007","90","","90","","90","","3762.9","0.5","90","2","90","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C42 H48 Au Cl P2 -","- C42 H48 Au Cl P2 -","- C168 H192 Au4 Cl4 P8 -","4","1","","Osawa, Masahisa; Aino, Masa-Aki; Nagakura, Takaki; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Near-unity thermally activated delayed fluorescence efficiency in three- and four-coordinate Au(i) complexes with diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8229","8239","10.1039/c8dt01097h","","","0.71073","MoKα","","0.0124","0.0119","","","0.0293","0.0294","","","","","","0.931","","","","has coordinates","236839","2020-10-21","18:00:00",""
"7702341","15.798","0.012","14.1","0.012","13.736","0.012","90","","90","","90","","3060","4","293","2","293","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C18 H38 Gd N11 O13 -","- C18 H34 Gd N11 O13 -","- C72 H136 Gd4 N44 O52 -","4","1","","Bligh, S. W. Annie; Drew, Michael G. B.; Martin, Noreen; Maubert, Beatrice; Nelson, Jane","A gadolinium cryptate with two coordinated water molecules","Journal of the Chemical Society, Dalton Transactions","1998","","22","3711","","10.1039/a805859h","","","0.7107","MoKα","","0.052","0.0422","","","0.1299","0.1435","","","","","","1.079","","","","has coordinates","243832","2020-10-21","18:00:00",""
"7711282","13.9365","0.0003","19.0723","0.0003","15.354","0.0003","90","","90","","90","","4081.11","0.13","213","2","213","2","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C36 H56 K2 O2 Pb Si2 -","- C36 H56 K2 O2 Pb Si2 -","- C144 H224 K8 O8 Pb4 Si8 -","4","1","","Diaz-Rodriguez, Roberto; Kitos, Alexandros; Murugesu, Muralee","Expanding the Series of Alkali Metal Plumbolyl Complexes to Na and K","Dalton Transactions","2022","","","","","10.1039/D2DT02615E","","","0.71073","MoKα","","0.0378","0.0207","","","0.0387","0.0434","","","","","","1.015","","","","has coordinates","277971","2022-09-18","23:07:01",""
"9001046","13.415","","10.493","","9.127","","90","","90","","90","","1284.75","","","","","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- Ca2 F K3 O12 S3 -","- Ca2 F K3 O12 S3 -","- Ca8 F4 K12 O48 S12 -","4","1","","Fayos, J.; Watkin, D. J.; Perez-Mendez M","Crystal structure of the apatite-like compound K3Ca2(SO4)3F","American Mineralogist","1987","72","","209","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001110","13.8378","","12.3781","","14.9238","","90","","90","","90","","2556.23","","","","","","","","","","","","Shaba, Zaire","3","P n 21 a","P -2ac -2n","33","","","Becquerelite","- Ca O30 U6 -","- Ca O30 U6 -","- Ca4 O120 U24 -","4","1","","Pagoaga, M. K.; Appleman, D. E.; Stewart, J. M.","Crystal structures and crystal chemistry of the uranyl oxide hydrates becquerelite, billietite, and protasite","American Mineralogist","1987","72","","1230","1238","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9002700","13.8527","","12.3929","","14.9297","","90","","90","","90","","2563.06","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","Becquerelite","- Ca H22 O30 U6 -","- Ca H22 O30 U6 -","- Ca4 H88 O120 U24 -","4","1","","Burns, P. C.; Li, Y.","The structures of becquerelite and Sr-exchanged becquerelite","American Mineralogist","2002","87","","550","557","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9008385","13.005","","19.155","","25.62199","","90","","90","","90","","6382.71","","","","","","","","","","","","Freiberg, Saxony, Germany","4","P n 21 a","P -2ac -2n","33","","","Andorite VI","- Ag Pb S6 Sb3 -","- Ag Pb S6 Sb3 -","- Ag24 Pb24 S144 Sb72 -","24","6","","Sawada, H.; Kawada, I.; Hellner, E.; Tokonami, M.","The crystal structure of senandorite (andorite VI): PbAgSb3S6","Zeitschrift fur Kristallographie","1987","180","","141","150","10.1524/zkri.1987.180.1-4.141","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9011347","20.397","","5.412","","9.161","","90","","90","","90","","1011.27","","","","","","","","","","","","Synthetic","4","P n 21 a","P -2ac -2n","33","","","Buchwaldite","- Ca Na O4 P -","- Ca Na O4 P -","- Ca12 Na12 O48 P12 -","12","3","","Ben Amara, M.; Vlasse, M.; Le Flem, G.; Hagenmuller, P.","Structure of the low-temperature variety of calcium sodium orthophosphate, NaCaPO4 Locality: synthetic","Acta Crystallographica, Section C","1983","39","","1483","1485","10.1107/S0108270183008963","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9012087","13.86","","12.3","","14.92","","90","","90","","90","","2543.53","","","","","","","","","","","","Shinkolobwe, Shaba, Zaire","4","P n 21 a","P -2ac -2n","33","","","Becquerelite","- Ca H22 O30 U6 -","- Ca H22 O30 U6 -","- Ca4 H88 O120 U24 -","4","1","","Piret-Meunier J; Piret, P.","Nouvelle determination de la structure cristalline de la bequerelite","Bulletin de Mineralogie","1982","105","","606","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9014081","9.79","","11.01","","4.63","","90","","90","","90","","499.058","","","","","","","","","","","","Vishnevye Hills, USSR","4","P n 21 a","P -2ac -2n","33","","","Barylite","- Ba Be2 O7 Si2 -","- Ba4 Be8 O28 Si8 -","- Ba4 Be8 O28 Si8 -","","","","Abrashev, K. K.; Ilyukhin, V. V.; Belov, N. V.","Crystal structure of barylite, BaBe2Si2O7 Coordinates of x(O2), z(O3), x(O7), z(Be1) modified acording to ICSD","Soviet Physics Crystallography","1965","9","","691","699","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017196","14.281","","4.9478","","24.1127","","90","","90","","90","","1703.79","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","8","P n 21 a","P -2ac -2n","33","","","Wulffite","- Cs0.04 Cu3.99 K2.85 Na O18 Rb0.08 S4 Zn0.02 -","- Cs0.1596 Cu15.96 K11.4 Na4 O72 Rb0.3204 S16 Zn0.08 -","- Cs0.1596 Cu15.96 K11.4 Na4 O72 Rb0.3204 S16 Zn0.08 -","","","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Chukanov, N. V.; Lykova, I. S.; Savelyev, D. P.; Sidorov, E. G.; Pushcharovsky, D. Y.","Wulffite, K3NaCu4O2(SO4)4, and parawulffite, K5Na3Cu8O4(SO4)8, two new minerals from fumarole sublimates of the Tolbachik volcano, Kamchatka, Russia","The Canadian Mineralogist","2014","52","","699","716","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:32",""