# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T13:37:13+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Chemical Crystallography') 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
"1100152","19.666","0.002","11.7586","0.0008","13.4808","0.0009","90","","103.69","0.008","90","","3028.8","0.5","295","1","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(2,2'-biimidazole)copper(II) perchlorate bis(4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one","","- C22 H20 Cl2 Cu N16 O10 -","- C22 H20 Cl2 Cu N16 O10 -","- C88 H80 Cl8 Cu4 N64 O40 -","4","0.5","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","Structure of the adduct of bis(2,2'biimidazole)copper(II) perchlorate with 4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one","Journal of Chemical Crystallography","2004","34","8","549","552","10.1023/B:JOCC.0000042024.70444.a0","","","0.71073","MoKα","","0.1388","0.0806","","","0.1905","0.2456","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1101093","9.7368","0.0008","12.3461","0.0011","17.1837","0.0014","78.372","0.006","74.585","0.006","71.113","0.005","1869","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 Co N12 O8 -","- C34 H42 Co N12 O8 -","- C68 H84 Co2 N24 O16 -","2","1","","Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","A cobalt(II) complex with the N,N,O-tridentate ligand 6-amino-5-formyl-1,3-dimethyluracilato-benzoyl-hydrazone","Journal of Chemical Crystallography","1999","29","","283","286","10.1023/A:1009565600126","","","","","","","0.0446","","","0.114","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101105","7.152","0.001","8.83","0.001","13.783","0.001","82.024","0.001","86.155","0.001","70.9","0.001","814.3","0.2","293","","","","","","","","","","","5","P 1","P 1","1","","","","- C20 H42 N8 Ni O22 -","- C20 H42 N8 Ni O22 -","- C20 H42 N8 Ni O22 -","1","1","","Francisca Barrios; Juan M. Salas; M. Purificación Sánchez; Miguel Quirós; René Faure","X-ray crystal structure of tetraaquabis(xanthosinato) nickel(II) hexahydrate","Journal of Chemical Crystallography","1999","29","","1009","1013","10.1023/A:1009568616134","","","","","","","0.0309","","","0.0808","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101107","8.749","0.001","14.213","0.001","21.2","0.002","90","","90","","90","","2636.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Cl2 Cu N8 O15 -","- C16 H22 Cl2 Cu N8 O15 -","- C64 H88 Cl8 Cu4 N32 O60 -","4","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Crystal structure of the Λ-[4M] enantiomer of cis-diaqua-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-N^5^,O^4^) copper(II) perchlorate monohydrate","Journal of Chemical Crystallography","1999","29","5","571","574","10.1023/A:1009548803103","","","","","","","0.0471","","","0.1263","","","","","","","","","","","has coordinates","174895","2020-10-21","18:00:00",""
"1101129","7.2294","0.0007","11.54","0.001","14.67","0.002","90","","90","","90","","1223.9","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C48 H56 N8 O12 -","4","1","","Raj P. Sharma; Paramjit Singh; Kuldip K. Bhasin; Miguel Quirós; Juan M. Salas; J. F. Hansen","Synthesis, spectroscopic and X-ray structural study of 4-p-methoxy-phenylimino-3-hydroxyimino-2-pentanone","Journal of Chemical Cristallography","1996","26","6","407","412","10.1007/BF01665820","","","","","","","0.051","","","0.092","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"1101130","15.2488","0.0012","15.238","0.0015","21.563","0.002","90","","90","","90","","5010.5","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Au Br4 N8 Na O4 -","- C16 H16 Au Br4 N8 Na O4 -","- C128 H128 Au8 Br32 N64 Na8 O32 -","8","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Gold(III)-pteridine compounds: synthesis, spectral, and X-ray diffraction stuides on new adducts between sodium tetrabromoaurate(III) and lumazine derivatives","Journal of Chemical Cristallography","1998","28","7","565","570","10.1023/A:1023252324268","","","","","","","0.0533","","","0.1001","","","","","","","","","","","has coordinates","174850","2020-10-21","18:00:00",""
"1500012","24.778","0.002","30.457","0.002","6.5364","0.0005","90","","90","","90","","4932.8","0.7","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H32 Co2 Cr2 N12 O15 -","- C8 H32 Co2 Cr2 N12 O15 -","- C64 H256 Co16 Cr16 N96 O120 -","8","0.5","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterisation and X-ray structure of [trans-Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~)","Journal of Chemical Crystallography","2005","35","10","769","775","10.1007/s10870-005-3886-9","","","0.71073","MoKα","","0.066","0.0617","","","0.1518","0.155","","","","","","1.094","","","","has coordinates","174896","2020-10-21","18:00:00",""
"1509283","5.855","","9.09","","13.885","","90","","90","","90","","738.987","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cs (Ag Se4)","","- Ag Cs Se4 -","- Ag Cs Se4 -","- Ag4 Cs4 Se16 -","4","1","","Schimek, G.L.; Emirdag, M.; Kolis, J.W.","Synthesis and characterisation of M Ag Se4 (M = Rb, Cs)","Journal of Chemical Crystallography","1998","28","","705","711","10.1023/A:1021704302492","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509517","5.809","","8.927","","13.435","","90","","90","","90","","696.698","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Rb (Ag Se4)","","- Ag Rb Se4 -","- Ag Rb Se4 -","- Ag4 Rb4 Se16 -","4","1","","Kolis, J.W.; Emirdag, M.; Schimek, G.L.","Synthesis and characterisation of M Ag Se4 (M = Rb, Cs)","Journal of Chemical Crystallography","1998","28","","705","711","10.1023/A:1021704302492","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509674","5.432","","6.619","","16.51","","80.78","","82.43","","72.82","","557.547","","","","","","","","","","","","","4","P -1","-P 1","2","","Ag2 Mn3 (P2 O7)2","","- Ag2 Mn3 O14 P4 -","- Ag2 Mn3 O14 P4 -","- Ag4 Mn6 O28 P8 -","2","1","","Holt, E.M.; Erragh, F.; Bennazha, J.; Boukhari, A.","Identification of a new family of diphosphate compounds, A(I)2 B(II)3 (P2 O7)2: structures of Ag2 Co3 (P2 O7)2, Ag2 Mn3 (P2 O7)2, and Na2 Cd3 (P2 O7)2","Journal of Chemical Crystallography","2000","30","","705","716","10.1023/A:1012294026877","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509781","5.351","","6.375","","16.532","","80.83","","81.45","","72.87","","528.942","","","","","","","","","","","","","4","P -1","-P 1","2","","Ag2 Co3 (P2 O7)2","","- Ag2 Co3 O14 P4 -","- Ag2 Co3 O14 P4 -","- Ag4 Co6 O28 P8 -","2","1","","Boukhari, A.; Erragh, F.; Holt, E.M.; Bennazha, J.","Identification of a new family of diphosphate compounds, A(I)2 B(II)3 (P2 O7)2: structures of Ag2 Co3 (P2 O7)2, Ag2 Mn3 (P2 O7)2, and Na2 Cd3 (P2 O7)2","Journal of Chemical Crystallography","2000","30","","705","716","10.1023/A:1012294026877","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509918","14.083","","14.083","","4.41","","90","","90","","90","","874.639","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Cs Ag5 Se3","","- Ag5 Cs Se3 -","- Ag5 Cs Se3 -","- Ag20 Cs4 Se12 -","4","0.25","","Schimek, G. L.; Kolis, J. W.; Eanes, M. E.","Synthesis and structural characterization of CsAg~5~Se~3~ and RbAg~3~Te~2~","Journal of Chemical Crystallography","2000","30","4","223","226","10.1023/A:1009582820690","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1510038","17.546","","4.617","","9.165","","90","","113.04","","90","","683.231","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Rb Ag3 Te2","","- Ag3 Rb Te2 -","- Ag3 Rb Te2 -","- Ag12 Rb4 Te8 -","4","0.5","","Schimek, G. L.; Kolis, J. W.; Eanes, M. E.","Synthesis and structural characterization of CsAg~5~Se~3~ and RbAg~3~Te~2~","Journal of Chemical Crystallography","2000","30","4","223","226","10.1023/A:1009582820690","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1511200","7.133","0.001","7.232","0.001","13.259","0.002","82","0.01","99.77","0.01","117.08","0.01","598.665","","","","","","","","","","","","","4","P -1","-P 1","2","","K3 (B Sb4 O13)","","- B K3 O13 Sb4 -","- B K3 O13 Sb4 -","- B2 K6 O26 Sb8 -","2","1","","Ftini, M. M.; Haddad, A.; Jouini, T.","Synthesis and crystal structure of K~3~Sb~4~BO~13~","Journal of Chemical Crystallography","2000","30","1","49","53","10.1023/A:1009598116581","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1511768","12.72","0.005","13.688","0.007","8.079","0.002","90","","107.06","0.04","90","","1344.8","1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N5 O4 -","- C13 H13 N5 O4 -","- C52 H52 N20 O16 -","4","1","","Carmen Enrique; Miguel Quirós; M. Angustias Romero; Juan M. Salas; M. Purificación Sánchez; Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; J. Daniel Martín","Synthesis, Characterization, and Crystal Structure of 1,3,7,9-Tetramethylpyrido-[2,3-d:6,5-d']-dipyrimidine-2,4,6,8-tetrone","Journal of Chemical Crystallography","1994","24","","465","468","10.1007/BF01666096","","","1.54178","CuKα","","","0.059","","","0.084","","","","","0.45","0.45","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511771","15.129","0.001","8.512","0.001","12.663","0.001","90","","104.05","0.01","90","","1581.9","0.3","294","2","294","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tetrakis(Thiourea)-palladium dichloride bis(5,7-dimethyl(1,2,4)triazolo(1,5-a)pyrimidine) dihydrate","","- C18 H36 Cl2 N16 O2 Pd S4 -","- C18 Cl2 N16 O2 Pd S4 -","- C36 Cl4 N32 O4 Pd2 S8 -","2","0.5","","Juan M. Salas; Abderrahman Rahmani; M. Angustias Romero; Miguel Quirós; Edward R.T. Tiekink","Spectroscopic, Thermal, and X-ray Diffraction Studies of Tetrakis(thiourea)palladium Chloride Bis(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine) Dihydrate","Journal of Chemical Crystallography","1994","24","10","669","673","10.1007/BF01668228","","","0.71073","MoKα","","","0.034","","","","0.038","","","","","","1.89","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513336","20.679","0.005","8.042","0.002","14.162","0.005","90","","102.86","0.03","90","","2296.1","1.2","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thalidomide; N-(2,6-dioxo-3-piperidyl)phalimide","rac-2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C104 H80 N16 O32 -","8","1","","Caira, M. R.; Botha, S. A.; Flanagan, D. R.","Polymorphism of N-(2,6-dioxo-3-piperidyl)pthalimide (thalidomide): Structural characterization of a second monoclinic racemic modification","Journal of Chemical Crystallography","1994","24","1","95","99","10.1007/BF01665353","","","","","","","0.051","","","0.051","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520819","15.113","","12.006","","15.892","","90","","122.85","","90","","2422.45","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Li6 (P6 O18) (H2 O)9.86","","- H19.72 Li6 O27.86 P6 -","- Li6 O27.86 P6 -","- Li24 O111.44 P24 -","4","0.5","","Chaabane, T. Ben; Smiri-Dogguy, L.","Synthesis and crystal structure of a new lithium cyclohexaphosphate hydrate: Li~6~P~6~O~18~ * 10(H~2~O)","Journal of Chemical Crystallography","1999","29","3","323","327","10.1023/A:1009577902852","","","","","","","","","","","","","","","","","","","","","has coordinates","174902","2020-10-21","18:00:00",""
"1521099","5.6","","5.98","","5.998","","90","","90","","90","","200.861","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","","","- Ag N3 -","- Ag N3 -","- Ag4 N12 -","4","0.25","","Guo, G.-C.; Wang, Q.-M.; Mak, T. C. W.","Structure refinement and Raman spectrum of silver azide","Journal of Chemical Crystallography","1999","29","5","561","564","10.1023/A:1009544702195","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521674","12.0786","","12.102","","21.416","","94.87","","94.755","","113.81","","2830.04","","","","","","","","","","","","","6","P -1","-P 1","2","","(H3 (P Mo12 O40)) ((C H3 C H2)2 N H)5 (H2 O)","","- C20 H60 Mo12 N5 O41 P -","- C20 Mo12 N5 O41 P -","- C40 Mo24 N10 O82 P2 -","2","1","","Niu, J.-Y.; Wang, J.-P.; Yan, B.; Dang, D.-B.; Zhou, Z.-Y.","Preparation, characterization and crystal structure of an intermolecular compound based on H~3~PMo~12~O~40~ . n(H~2~O) and diethylamine","Journal of Chemical Crystallography","2000","30","1","43","48","10.1023/A:1009546132511","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521969","13.987","","10.241","","18.151","","90","","110.94","","90","","2428.25","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Rb2 (Fe (C N)5 N O) (H2 O)","","- C5 H2 Fe N6 O2 Rb2 -","- C5 H2 Fe N6 O2 Rb2 -","- C40 H16 Fe8 N48 O16 Rb16 -","8","1","","Soria, D. B.; Piro, O. E.; Castellano, E. E.; Aymonino, P. J.","Crystal and molecular structure determination, TGA, DTA, and infrared and Raman spectra of rubidium nitroprusside monohydrate, Rb~2~[Fe(CN)~5~NO] . (H~2~O)","Journal of Chemical Crystallography","1999","29","1","75","80","10.1023/A:1009575415668","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525669","5.67","","7.08","","7.9","","76.98","","82.5","","67.78","","285.675","","","","","","","","","","","","","4","P -1","-P 1","2","","Na2 Cd3 (P2 O7)2","","- Cd3 Na2 O14 P4 -","- Cd3 Na2 O14 P4 -","- Cd3 Na2 O14 P4 -","1","0.5","","Bennazha, J.; Erragh, F.; Holt, E. M.; Boukhari, A.","Identification of a new family of diphosphate compounds, A(I)2 B(II)3 (P~2~O~7~)~2~: structures of Ag~2~Co~3~(P~2~O~7~)~2~, Ag~2~Mn~3~(P~2~O~7~)~2~, and Na~2~Cd~3~(P~2~O7)~2~","Journal of Chemical Crystallography","2000","30","11","705","716","10.1023/A:1012294026877","","","","","","","","","","","","","","","","","","","","","has coordinates","174906","2020-10-21","18:00:00",""
"1526123","9.36","","9.86","","23.53","","98.79","","98.15","","89.3","","2124.3","","","","","","","","","","","","","4","P -1","-P 1","2","","Y2 (V10 O28) (H2 O)24","","- H48 O52 V10 Y2 -","- H48 O52 V10 Y2 -","- H96 O104 V20 Y4 -","2","1","","Navaza, A.; Chevrier, G.; Baran, E. J.; Kiat, J. M.","Neutron diffraction structure of Y~2~V~10~O~28~ * 24(H~2~O) at 297 and 60 K","Journal of Chemical Crystallography","2000","30","8","545","555","10.1023/A:1011393807523","","","","","","","","","","","","","","","","","","","","","has coordinates","174909","2020-10-21","18:00:00",""
"1526943","8.621","","23.543","","11.358","","90","","110.58","","90","","2158.15","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(Na4 (H2 O)14) (Sn S4)","","- H28 Na4 O14 S4 Sn -","- H28 Na4 O14 S4 Sn -","- H112 Na16 O56 S16 Sn4 -","4","1","","Willett, R. D.; Vij, A.; Imhof, J. M.; Cleary, D. A.","Redetermination of the crystal structure of [Na~4~(H~2~O)~14~]SnS~4~: a compound containing a novel chain of aquated sodium ions","Journal of Chemical Crystallography","2000","30","6","405","410","10.1023/A:1009534006447","","","","","","","","","","","","","","","","","","","","","has coordinates","189203","2020-10-21","18:00:00",""
"1531135","6.759","","6.228","","5.7854","","80.28","","88.79","","69.96","","225.329","","","","","","","","","","","","","5","P -1","-P 1","2","","(N2 H6) (In F4 (H2 O))2","","- F8 H10 In2 N2 O2 -","- F8 H10 In2 N2 O2 -","- F8 H10 In2 N2 O2 -","1","0.5","","Benkič, P.; Rahten, A.; Jesih, A.; Pejov, Lj.","Crystal structure and vibrational spectra of hydrazinium(2+) aquatetrafluoroindate(III), N~2~H~6~(InF~4~H~2~O)~2~","Journal of Chemical Crystallography","2002","32","8","227","235","10.1023/A:1020244905386","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531146","19.765","","7.54","","8.384","","90","","98.87","","90","","1234.51","","","","","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","Sr (Fe (C N)5 (N O)) (H2 O)4","","- C5 H8 Fe N6 O5 Sr -","- C5 H8 Fe N6 O5 Sr -","- C20 H32 Fe4 N24 O20 Sr4 -","4","1","","Chevrier, G.; Navaza, A.; Aymonino, P. J.; Kiat, J. M.; Zuriaga, M. J.; Martin, C. A.; Monti, G. A.; Güida, J. A.; Lanzelotti, P. L.","Low temperature phases of strontium nitroprusside tetrahydrate (Sr(Fe(CN)~5~NO) * 4(H~2~O)). Refinement of the neutron structure at 60 K","Journal of Chemical Crystallography","2001","31","11-12","491","500","10.1023/A:1015707632369","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531352","11.418","","6.447","","5.27","","90","","90","","90","","387.934","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na Ho (Ge O4)","","- Ge Ho Na O4 -","- Ge Ho Na O4 -","- Ge4 Ho4 Na4 O16 -","4","0.5","","Emirdag-Eanes, M.; Krawiec, M.; Kolis, J. W.","Hydrothermal synthesis and structural characterization of NaLnGeO~4~ (Ln = Ho, Er, Tb, Tm, Yb, Lu) family of lanthanide germanates","Journal of Chemical Crystallography","2002","31","5","281","285","10.1023/A:1014378729117","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532314","16.308","","16.308","","15.418","","90","","90","","90","","4100.43","","","","","","","","","","","","","6","I 4/m","-I 4","87","","Na16 (Fe (C N)5 C O)4 (Fe (C N)6) (H2 O)32","","- C30 H64 Fe5 N26 Na16 O36 -","- C30 Fe5 N26 Na16 O36 -","- C60 Fe10 N52 Na32 O72 -","2","0.125","","Soria, D. B.; Piro, O. E.; Varetti, E. L.; Aymonino, P. J.","X-ray diffraction and DFT structures of the pentacyanocarbonylferrate(3-) ion","Journal of Chemical Crystallography","2001","31","11-12","471","477","10.1023/A:1015659014622","","","","","","","","","","","","","","","","","","","","","has coordinates","174914","2020-10-21","18:00:00",""
"1534024","8.6161","","10.591","","11.406","","67.976","","86.868","","67.798","","888.733","","","","","","","","","","","","","5","P -1","-P 1","2","","Cs4 ((H2 O)2 (Na (H2 O)4)2) (V10 O28)","","- Cs4 H20 Na2 O38 V10 -","- Cs4 Na2 O38 V10 -","- Cs4 Na2 O38 V10 -","1","0.5","","Piro, O. E.; Varetti, E. L.; Ben Altabef, A.; Brandan, S. A.","A crystallographic and vibrational study of cesium di-μ-aqua bis[tetraaquasodium(I)] decavanadate, Cs~4~[Na~2~(H~2~O)~10~](V~10~O~28~)","Journal of Chemical Crystallography","2003","33","1","57","63","10.1023/A:1021303917680","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534654","9.1508","","25.5271","","8.3574","","90","","90","","90","","1952.23","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Zn4 (P2 O7)2 (H2 O)10","","- H20 O24 P4 Zn4 -","- H20 O24 P4 Zn4 -","- H80 O96 P16 Zn16 -","4","0.5","","Assaaoudi, H.; Belanger-Gariepy, F.; Butler, I. S.; Kozinski, J.","Crystal structure, vibrational spectra and thermal decomposition of a new tetrazinc(II) dipyrophosphate decahydrate, Zn~4~(P~2~O~7~)~2~.~10~H~2~O","Journal of Chemical Crystallography","2005","35","1","49","59","10.1007/s10870-005-1154-7","","","","","","","","","","","","","","","","","","","","","has coordinates","174916","2020-10-21","18:00:00",""
"1535178","8.8882","","5.9445","","15.2445","","90","","97.0641","","90","","799.343","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bi (I O3)3","","- Bi I3 O9 -","- Bi I3 O9 -","- Bi4 I12 O36 -","4","1","","Bentria, B.; Benbertal, D.; Masse, R.; Bagieu-Beucher, M.; Mosset, A.","Crystal structure of anhydrous bismuth iodate, Bi(IO~3~)~3~","Journal of Chemical Crystallography","2003","33","11","867","873","10.1023/A:1027409929990","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535265","6.438","","10.515","","13.166","","90","","90","","90","","891.28","","","","","","","","","","","","","5","I m m a (c,a,b)","-I 2b 2 (z,x,y)","74","","Na1.28 Ni0.86 Fe2 (P O4)3","","- Fe2 Na1.28 Ni0.86 O12 P3 -","- Fe2 Na1.277 Ni0.8615 O12 P3 -","- Fe8 Na5.108 Ni3.446 O48 P12 -","4","","","Hidouri, M.; Lajmi, B.; Driss, A.; Ben Amara, M.","Synthesis and crystal structure of Na~1.28~Ni~0.86~Fe~2~(PO~4~)~3~","Journal of Chemical Crystallography","2004","34","10","669","672","10.1023/B:JOCC.0000047641.37337.db","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535882","5.6065","","5.6065","","13.642","","90","","90","","120","","371.358","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","K3 Sc Si2 O7","","- K3 O7 Sc Si2 -","- K3 O7 Sc Si2 -","- K6 O14 Sc2 Si4 -","2","0.0833333","","Napper, J. D.; Layland, R. C.; Smith, M. D.; zur Loye, H. C.","Crystal Growth and Structure Determination of the New Silicate K~3~ScSi~2~O~7~","Journal of Chemical Crystallography","2004","34","6","347","351","10.1023/B:JOCC.0000028666.53348.fc","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536505","8.8594","","5.3265","","7.0493","","90","","90","","90","","332.654","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Be F4 -","- Ba Be F4 -","- Ba4 Be4 F16 -","4","0.5","","Werner, F.; Kubel, F.","Barite-type Ba(BeF~4~)~x~(SO~4~)~1-x~ (x=1 and approx.0.5)","Journal of Chemical Crystallography","2005","35","6","457","462","10.1007/s10870-005-2220-x","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536509","8.8657","","5.3902","","7.1007","","90","","90","","90","","339.328","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ba (Be F4)0.535 (S O4)0.465","","- Ba Be0.535 F2.14 O1.86 S0.465 -","- Ba Be0.535 F2.14 O1.86 S0.465 -","- Ba4 Be2.14 F8.56 O7.44 S1.86 -","4","0.5","","Werner, F.; Kubel, F.","Barite-type Ba(BeF~4~)~x~(SO~4~)~1-x~ (x=1 and approx.0.5)","Journal of Chemical Crystallography","2005","35","6","457","462","10.1007/s10870-005-2220-x","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537143","33.082","","19.615","","14.885","","90","","90.63","","90","","9658.34","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Na11 (Cu3 (H2 O)3 (Bi W9 O33)2) (H2 O)32.5","","- Bi2 Cu3 H71 Na11 O101.5 W18 -","- Bi2 Cu3 Na11 O101.5 W18 -","- Bi8 Cu12 Na44 O406 W72 -","4","0.5","","Rosu, C.; Rasu, D.; Weakley, T. J. R.","X-ray structure of dodecasodium tricopper(II)bis[nonatungstabismuthate(III) hydrate, a polyoxometalate salt containing α-B-BiW~9~O~33~ units","Journal of Chemical Crystallography","2003","33","10","751","755","10.1023/A:1026103306556","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541688","8.325","","9.301","","9.868","","84.73","","69.25","","67.55","","659.538","","","","","","","","","","","","","4","P -1","-P 1","2","","(C (N H2)3) (N3 O4)","","- C H6 N6 O4 -","- C H6 N6 O4 -","- C4 H24 N24 O16 -","4","2","","Gilardi, R. D.; Butcher, R. J.","A new class of flexible energetic salts. Part 7: The structures of the guanidinium and hydroxyguanidinium salts of dinitramide","Journal of Chemical Crystallography","2002","32","11","477","484","10.1023/A:1021196826824","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541757","9.688","","11.212","","7.732","","99.85","","89.95","","75.81","","801.43","","","","","","","","","","","","","5","P -1","-P 1","2","","Sr (Cd2 Cl6) (H2 O)8","","- Cd2 Cl6 H16 O8 Sr -","- Cd2 Cl6 H16 O8 Sr -","- Cd4 Cl12 H32 O16 Sr2 -","2","1","","Yahyaoui, S.; Ben Hassen, R.; Ben Salah, A.","Crystal structure of a new double salt hydrate SrCdCl~6~ * 8H~2~O","Journal of Chemical Crystallography","2002","32","8","243","250","10.1023/A:1020249006294","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541839","7.098","","3.516","","14.358","","90","","98.94","","90","","353.973","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","(C (N H2)2 (N H O H)) (N3 O4)","","- C H6 N6 O5 -","- C H6 N6 O5 -","- C2 H12 N12 O10 -","2","1","","Gilardi, R. D.; Butcher, R. J.","A new class of flexible energetic salts. Part 7: The structures of the guanidinium and hydroxyguanidinium salts of dinitramide","Journal of Chemical Crystallography","2002","32","11","477","484","10.1023/A:1021196826824","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1557684","10.4966","0.0001","8.8056","0.0001","21.8603","0.0003","90","","101.074","0.001","90","","1982.9","0.04","","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Hydroxychloroquine sulfate OHClQ","","","- C18 H28 Cl N3 O5 S -","- C18 Cl N3 O5 S -","- C72 Cl4 N12 O20 S4 -","4","1","","Agata Semeniuk; Justyna Kalinowska-Tluscik; Wojciech Nitek; Barbara J. Oleksyn","Intermolecular Interactions in Crystalline Hydroxychloroquine Sulfate in Comparison with Those in Selected Antimalarial Drugs","Journal of Chemical Crystallography","2008","38","","333","338","10.1007/s10870-008-9327-9","","x-ray","0.71069","MoKα","","0.0402","0.0351","","","0.0999","","","","","","","1.068","","","","has coordinates","249832","2020-10-21","18:00:00",""
"1570234","9.8208","0.0015","11.2664","0.0017","12.0446","0.0018","106.236","0.005","111.51","0.005","97.71","0.006","1147.9","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","Tetrakis(dimethyl N-cyanodithioiminocarbonate) Bis[(aqua)mu2-hydroxy-n-butyldichloridotin(IV)]","","- C24 H48 Cl4 N8 O4 S8 Sn2 -","- C24 H48 Cl4 N8 O4 S8 Sn2 -","- C24 H48 Cl4 N8 O4 S8 Sn2 -","1","0.5","","Babacar Mbaye; Mouhamadou Birame Diop; Mouhamadou Sembene Boye; Thierry Maris; Aminata Diasse-Sarr; Libasse Diop","Crystal Structure of Tetrakis(dimethyl N-cyanodithioiminocarbonate) Bis[(aqua)mu2-hydroxy-n-butyldichloridotin(IV)]","Journal of Chemical Crystallography","2023","53","","547","554","10.1007/s10870-023-00992-2","","x-ray","1.34139","GaKα","","0.0191","0.0183","","","0.0494","0.05","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","287245","2023-11-02","12:44:30",""
"5000082","7.696","0.005","10.227","0.002","23.688","0.005","90","","90","","90","","1864.41","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","tetrahydrocortisol","","","- C21 H34 O5 -","- C21 H34 O5 -","- C84 H136 O20 -","4","1","","Ribár, B.; Vladimirov, S.; Živanov-Stakić, D.; Strumpel, M.","Crystal structure of tetrahydrocortisol","Journal of Chemical Crystallography","1995","25","8","499","503","10.1007/BF01665707","","","","","","","","","","","","","","","","","","","","","has coordinates","187370","2020-10-21","18:00:00",""
"6000211","9.214","","9.214","","49.452","","90","","90","","90","","4198.37","","","","","","","","","","","","","4","P 41 21 2","","","","","","- C23 H29 F O6 -","","","","","","Valente, E. J.; Zubkowski, J. D.; Lee, K. S.; Driessen, R. A. J.; Goubitz, K.; Numan, M.; Schenk, H.; Lee, H. J.; Ko, D. H.","9α-fluoro-11β,17α,21-trihydroxy-1,4-pregnadiene-3,20-dione-21-acetate (9-fluoroprednisolone-21-acetate)","Journal of Chemical Crystallography","1997","27","4","219","222","10.1007/BF02575958","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000268","8.822","","9.236","","8.451","","67.19","","91.32","","111.1","","586.72","","","","","","","","","","","","","6","P -1","","","","","","- C3 H14 N O10 P3 Zn2 -","","","","","","Hajem, A. A.; Trojette, B.; Driss, A.; Jouini, T.","Synthesis and structure determination of a new layered zincophosphate: [H~2~N~2~C~6~H~16~](0.5)[Zn~2~(PO~4~)(HPO~4~)(H~2~O)].H~2~O","Journal of Chemical Crystallography","1999","29","2","217","221","10.1023/A:1009582429917","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"9017907","9.837","","10.517","","18.7594","","90","","90","","90","","1940.77","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","Artesunate","- C19 O8 -","- C76 O32 -","- C76 O32 -","","","","Lisgarte, J. N.; Potter, B.; Palmer, R. A.; Chimanuka, B.; Aymami, J.","Structure, absolute configuration, and conformation of the antimalarial drug artesunate","Journal of Chemical Crystallography","2002","32","","43","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:29",""