# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T20:00:52+01:00
# 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 'X-ray Structure Analysis Online') AND volume = 28 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
"1551698","8.5286","0.0006","11.4221","0.0006","11.4561","0.0006","112.632","0.002","97.216","0.002","106.241","0.002","954.08","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis( -4-methylpiperidine-1-carbodithioato-1:2 3S,S':S'; 2:1 3S,S':S')bis[(4-methylpiperidine-1-carbodithioato- 2S,S')cadmium(II)]","","- C28 H48 Cd2 N4 S8 -","- C28 H48 Cd2 N4 S8 -","- C28 H48 Cd2 N4 S8 -","1","0.5","","THIRUMARAN, S.; SRINIVASAN, N.; SHARMA, Vandana; GUPTA, Vivek K.","Crystal Structure of Bis(μ-4-methylpiperidine-1-carbodithioato-1:2κ3S,S′:S′;2:1κ3S,S′:S′)bis[(4-methylpiperidine-1-carbodithioato-k2S,S′)cadmium(II)]","X-ray Structure Analysis Online","2012","28","","21","","10.2116/xraystruct.28.21","","","0.71073","MoKα","","0.044","0.0297","","","0.0794","0.0879","","","","","","1.066","","","","has coordinates","216309","2020-10-21","18:00:00",""
"1551699","5.58","0.004","6.709","0.004","12.846","0.004","71.52","0.05","79.41","0.07","83.4","0.08","447.5","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H16 Cl2 Co N2 O8 Pd -","- C12 H16 Cl2 Co N2 O8 Pd -","- C12 H16 Cl2 Co N2 O8 Pd -","1","0.5","","MIYAZAKI, Yuhei; KATAOKA, Yusuke; KAWAMOTO, Tatsuya; MORI, Wasuke","Crystal Structure of Pd(II)-Co(II) Coordination Polymer with Isonicotinic Acid","X-ray Structure Analysis Online","2012","28","","19","","10.2116/xraystruct.28.19","","x-ray","0.71075","MoKα","","","0.0282","","","","0.0954","","","","","","1.006","","","","has coordinates","216310","2020-10-21","18:00:00",""
"1551700","9.7449","0.0008","32.881","0.003","18.6962","0.0016","90","","99.571","0.001","90","","5907.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 B N6 Ru -","- C32 H45 B N6 Ru -","- C256 H360 B8 N48 Ru8 -","8","2","","OWALUDE, Samson O.; EKE, Uche B.; ODEBUNMI, Ezekiel O.; NESTEROV, Vladimir N.; MEIJBOOM, Reinout; COVILLE, Neil J.","Crystal Structure of (Cycloocta-1,5-diene)tris(hydrazine)hydrido-ruthenium(II) tetraphenylborate","X-ray Structure Analysis Online","2012","28","","29","","10.2116/xraystruct.28.29","","","0.71073","MoKα","","0.0499","0.0392","","","0.0909","0.0984","","","","","","1.049","","","","has coordinates","216312","2020-10-21","18:00:00",""
"1551701","7.958","0.0004","14.011","0.0016","14.096","0.0014","90","","90","","90","","1571.7","0.3","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Bi Br5 N2 -","- C5 H16 Bi Br5 N2 -","- C20 H64 Bi4 Br20 N8 -","4","1","","OULED MOHAMED SGHAIER, Mohsen; ABDELHEDI, Mohamed; CHAABOUNI, Slaheddine","Synthesis and Crystal Structure of Penthylenediammonium pentabromobismutate(III) [NH3(CH2)5NH3]BiBr5","X-ray Structure Analysis Online","2012","28","","1","","10.2116/xraystruct.28.1","","","0.71073","MoKα","","0.0492","0.0492","","0.0547","0.0547","0.0547","","","","","","1.1721","","","","has coordinates","216313","2020-10-21","18:00:00",""
"1551702","9.409","0.005","12.33","0.005","13.789","0.005","116.13","0.03","96.99","0.04","104.81","0.04","1337","1.2","305","","305","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cr N3 O8 -","- C28 H26 Cr N3 O8 -","- C56 H52 Cr2 N6 O16 -","2","1","","KOIKAWA, Masayuki; TOYOFUKU, Takashi; MUTO, Masahiro; YAMADA, Yasunori; TOKII, Tadashi","Synthesis and Crystal Structure of Bis{2-[(2-hydroxymethylphenyl)-iminomethyl]phenolato}chromium(III) nitrate monohydrate","X-ray Structure Analysis Online","2012","28","","33","","10.2116/xraystruct.28.33","","","0.71069","MoKα","","","0.0494","","","","0.1512","","","","","","0.95","","","","has coordinates","216314","2020-10-21","18:00:00",""
"1551703","24.2721","0.0009","11.6227","0.0004","9.3193","0.0004","90","","107.489","0.004","90","","2507.51","0.18","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2- (4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one","","- C22 H26 O15 -","- C22 H26 O15 -","- C88 H104 O60 -","4","1","","ANTHAL, Sumati; ROY, Rajiv; GUPTA, Vivek K.; BRAHMACHARI, Goutam; JASH, Shyamal K.; MANDAL, Lalan C.","Crystal Structure of 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one trihydrate","X-ray Structure Analysis Online","2012","28","","15","","10.2116/xraystruct.28.15","","","0.71073","MoKα","","0.0602","0.0504","","","0.138","0.1483","","","","","","1","","","","has coordinates","216315","2020-10-21","18:00:00",""
"1551704","12.299","0.0015","10.8108","0.0008","21.277","0.002","90","","99.808","0.009","90","","2787.7","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 O8 -","- C35 H29 O8 -","- C140 H116 O32 -","4","1","","MANOLOV, Ilia; MAICHLE-MOESSMER, Cecilia","Synthesis and Structure of 3,3′-[(4-Benzyloxyphenyl)methylene]bis-(4-hydroxy-2H-chromen-2-one)","X-ray Structure Analysis Online","2012","28","","7","","10.2116/xraystruct.28.7","","","0.71073","MoKα","","0.1325","0.086","","","0.1436","0.1595","","","","","","1.134","","","","has coordinates","216316","2020-10-21","18:00:00",""
"1551705","25.4238","0.0014","6.9922","0.0005","15.1311","0.0008","90","","92.335","0.005","90","","2687.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Diphenylamine-picric acid(1/2)","","- C24 H15 N7 O14 -","- C24 H15 N7 O14 -","- C96 H60 N28 O56 -","4","1","","KAPOOR, Kamini; GUPTA, Vivek K.; VELMURUGAN, R.; SEKAR, M.","Cocrystallization of Diphenylamine and Picric acid (1:2)","X-ray Structure Analysis Online","2012","28","","31","","10.2116/xraystruct.28.31","","","0.71073","MoKα","","0.1345","0.077","","","0.2218","0.2833","","","","","","1.026","","","","has coordinates","216317","2020-10-21","18:00:00",""
"1551706","11.0508","0.0008","12.0159","0.001","10.0074","0.0009","90","","94.761","0.005","90","","1324.25","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","","BELHOUCHET, Mohamed; YOUSSEF, Chiraz; BEN AMMAR, Hamed; BEN SALEM, Ridha; MHIRI, Tahar","Synthesis and Crystal Structure of a Benzoxazole Derivative: (E)-2-(6-Methylbenzoxazol-2-yl)-3-phenylacrylonitrile","X-ray Structure Analysis Online","2012","28","","3","","10.2116/xraystruct.28.3","","","0.71073","MoKα","","0.1026","0.0521","","","0.1416","0.1718","","","","","","1.02","","","","has coordinates","216318","2020-10-21","18:00:00",""
"1551707","7.426","0.006","9.302","0.003","19.841","0.009","90","","98.34","0.06","90","","1356.1","1.3","293","2","293","2","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","Dinitrato aqua 2,2'-bipyridine cadmium(II)","","","- C10 H10 Cd N4 O7 -","- C10 H10 Cd N4 O7 -","- C40 H40 Cd4 N16 O28 -","4","1","","CHERNI, Saoussen Namouchi; CHERNI, Abdessatar; DRISS, Ahmed","Crystal Structure of Bicapped Trigonal-Antiprismatic Coordinated Cd(II) Complex [Cd(C10H8N2)(NO3)2(H2O)]","X-ray Structure Analysis Online","2012","28","","13","","10.2116/xraystruct.28.13","","","0.71073","MoKα","","0.0366","0.0337","","","0.0835","0.0858","","","","","","1.158","","","","has coordinates","287876","2023-11-30","07:26:55",""
"1551708","21.548","0.001","7.6273","0.0003","9.5982","0.0005","90","","100.651","0.002","90","","1550.32","0.12","190","","190","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trimetazidine monohydrochloride","1-(2,3,4-trimethoxybenzyl)piperazine monohydrochloride","","- C14 H23 Cl N2 O3 -","- C14 H23 Cl N2 O3 -","- C56 H92 Cl4 N8 O12 -","4","1","","STEPANOVS, Dmitrijs; MISHNEV, Anatoly","Crystal Structure of 1-(2,3,4-Trimethoxybenzyl)piperazine monohydrochloride","X-ray Structure Analysis Online","2012","28","","5","","10.2116/xraystruct.28.5","","","0.71073","MoKα","","0.1711","0.0545","","","0.0912","0.1181","","","","","","0.896","","","","has coordinates","216320","2020-10-21","18:00:00",""
"1551709","13.112","0.004","5.91","0.001","18.657","0.005","90","","123.785","0.006","90","","1201.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","SHRUTHI, E.; KUMAR, S. Madan; KUSUMA, K.; MANJUNATH, H. R.; VAIDYA, V. P.; SRIDHAR, M. A.; LOKANATH, N. K.","Synthesis and Structural Studies of Ethylnaphtho[2,1-b]furan-2-carboxylate","X-ray Structure Analysis Online","2012","28","","23","","10.2116/xraystruct.28.23","","","0.71073","MoKα","","0.11","0.0929","","","0.2803","0.3228","","","","","","1.316","","","","has coordinates","216321","2020-10-21","18:00:00",""
"1551710","18.7975","0.0012","15.3248","0.0009","24.378","0.002","90","","108.058","0.008","90","","6676.6","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C300 H220 Cl20 O40 -","20","10","","GUPTA, Vivek K.; KAPOOR, Kamini; KUMAR, Sunil; DHAR, Kanahya Lal","Multiple Molecules in the Crystallographic Asymmetric Unit of (Z)-3-(3-Chlorophenyl)-2-phenyl acrylic acid","X-ray Structure Analysis Online","2012","28","","9","","10.2116/xraystruct.28.9","","","0.71073","MoKα","","0.1733","0.0792","","","0.1881","0.2387","","","","","","0.95","","","","has coordinates","216322","2020-10-21","18:00:00",""
"1551711","36.993","0.002","10.1567","0.0007","8.3441","0.0006","90","","90","","90","","3135.1","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(4-Benzoyl-2-methyl-phenoxy)-acetic acid ethyl ester","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","RANGANATHA, V. Lakshmi; VINUTHA, N.; KHANUM, Shaukath A.; ANTHAL, Sumati; REVANNASIDDAIAH, D.; Rajnikant,; GUPTA, Vivek K.","Crystal Structure of (4-Benzoyl-2-methyl-phenoxy)-acetic acid ethyl ester","X-ray Structure Analysis Online","2012","28","0","27","","10.2116/xraystruct.28.27","","","0.71073","MoKα","","0.0878","0.069","","","0.1299","0.1406","","","","","","1.075","","","","has coordinates","216323","2020-10-21","18:00:00",""
"1551712","13.782","0.003","8.33","0.0016","15.755","0.003","90","","97.366","0.007","90","","1793.8","0.6","173","2","173","2","","","101.3","","","","","3","P 1 21/c 1","-P 2ybc","14","5-hydroxyisophthalic acid-ethanol 2:1 solvate","","","- C9 H9 O5.5 -","- C9 H9 O5.5 -","- C72 H72 O44 -","8","2","","SAKON, Aya; UEKUSA, Hidehiro","Supramolecular Structure of 5-Hydroxyisophthalic Acid-Ethanol 2:1 Solvate","X-ray Structure Analysis Online","2012","28","","35","","10.2116/xraystruct.28.35","","x-ray","0.71075","MoKα","","0.1533","0.074","","","0.1719","0.1993","","","","","","0.984","","","","has coordinates","273808","2022-03-18","10:32:15",""