# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-28T04:21:36+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 'Molecules (Basel, Switzerland)') AND volume = 25 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
"1557240","20.9331","0.0009","6.0827","0.0003","15.253","0.0011","90","","132.9","0.001","90","","1422.72","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Br4 Se -","- C10 H16 Br4 Se -","- C40 H64 Br16 Se4 -","4","0.5","","Potapov, Vladimir A.; Musalov, Maxim V.; Kurkutov, Evgeny O.; Yakimov, Vladimir A.; Khabibulina, Alfiya G.; Musalova, Maria V.; Amosova, Svetlana V.; Borodina, Tatyana N.; Albanov, Alexander I.","Remarkable Alkene-to-Alkene and Alkene-to-Alkyne Transfer Reactions of Selenium Dibromide and PhSeBr. Stereoselective Addition of Selenium Dihalides to Cycloalkenes.","Molecules (Basel, Switzerland)","2020","25","1","194","","10.3390/molecules25010194","","","0.71073","MoKα","","0.0216","0.0183","","","0.0395","0.0405","","","","","","1.103","","","","has coordinates","247876","2020-10-21","18:00:00",""
"1557241","20.6655","0.0016","6.0655","0.0005","14.7555","0.0019","90","","133.69","0.002","90","","1337.4","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl4 Se -","- C10 H16 Cl4 Se -","- C40 H64 Cl16 Se4 -","4","0.5","","Potapov, Vladimir A.; Musalov, Maxim V.; Kurkutov, Evgeny O.; Yakimov, Vladimir A.; Khabibulina, Alfiya G.; Musalova, Maria V.; Amosova, Svetlana V.; Borodina, Tatyana N.; Albanov, Alexander I.","Remarkable Alkene-to-Alkene and Alkene-to-Alkyne Transfer Reactions of Selenium Dibromide and PhSeBr. Stereoselective Addition of Selenium Dihalides to Cycloalkenes.","Molecules (Basel, Switzerland)","2020","25","1","194","","10.3390/molecules25010194","","","0.71073","MoKα","","0.0274","0.0266","","","0.0633","0.0637","","","","","","1.138","","","","has coordinates","247877","2020-10-21","18:00:00",""
"1557242","9.1273","0.0002","12.0439","0.0002","12.0526","0.0002","62.4993","0.0008","75.9211","0.001","79.9212","0.0009","1136.88","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Co N2 O7 S -","- C23 H19 Co N2 O7 S -","- C46 H38 Co2 N4 O14 S2 -","2","1","","Chhetri, Pradhumna Mahat; Wu, Ming-Hao; Hsieh, Chou-Ting; Yang, Xiang-Kai; Wu, Chen-Ming; Yang, En-Che; Wang, Chih-Chieh; Chen, Jhy-Der","A Pair of Co<sup>II</sup> Supramolecular Isomers Based on Flexible Bis-Pyridyl-Bis-Amide and Angular Dicarboxylate Ligands.","Molecules (Basel, Switzerland)","2020","25","1","201","","10.3390/molecules25010201","","","0.71073","MoKα","","0.033","0.0293","","","0.0787","0.0815","","","","","","1.038","","","","has coordinates","247878","2020-10-21","18:00:00",""
"1557243","9.2206","0.0008","11.0642","0.001","13.345","0.0012","96.611","0.005","109.696","0.005","103.697","0.005","1216.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H22 Co N2 O8 S -","- C23.5 H21.5 Co N2 O8 S -","- C47 H43 Co2 N4 O16 S2 -","2","1","","Chhetri, Pradhumna Mahat; Wu, Ming-Hao; Hsieh, Chou-Ting; Yang, Xiang-Kai; Wu, Chen-Ming; Yang, En-Che; Wang, Chih-Chieh; Chen, Jhy-Der","A Pair of Co<sup>II</sup> Supramolecular Isomers Based on Flexible Bis-Pyridyl-Bis-Amide and Angular Dicarboxylate Ligands.","Molecules (Basel, Switzerland)","2020","25","1","201","","10.3390/molecules25010201","","","0.71073","MoKα","","0.0946","0.0573","","","0.1348","0.1531","","","","","","1.024","","","","has coordinates","247878","2020-10-21","18:00:00",""
"1557745","13.9484","0.0012","18.528","0.0016","7.0215","0.0008","90","","90","","90","","1814.6","0.3","293","1","293","1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C9 H8 K N O3 -","- C9 H8 K N O3 -","- C72 H64 K8 N8 O24 -","8","1","","Bakalorz, Karolina; Przypis, Łukasz; Tomczyk, Mateusz Michał; Książek, Maria; Grzesik, Ryszard; Kuźnik, Nikodem","Unprecedented Water Effect as a Key Element in Salicyl-Glycine Schiff Base Synthesis.","Molecules (Basel, Switzerland)","2020","25","5","1257","","10.3390/molecules25051257","","","0.71073","MoKα","","0.0525","0.0387","","","0.084","0.0894","","","","","","1.084","","","","has coordinates","250388","2020-10-21","18:00:00",""
"1557746","18.879","0.003","6.2395","0.0006","8.7555","0.0009","90","","99.765","0.012","90","","1016.4","0.2","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 K N O4 -","- C9 H9 K N O4 -","- C36 H36 K4 N4 O16 -","4","1","","Bakalorz, Karolina; Przypis, Łukasz; Tomczyk, Mateusz Michał; Książek, Maria; Grzesik, Ryszard; Kuźnik, Nikodem","Unprecedented Water Effect as a Key Element in Salicyl-Glycine Schiff Base Synthesis.","Molecules (Basel, Switzerland)","2020","25","5","1257","","10.3390/molecules25051257","","","1.54184","CuKα","","0.0869","0.0615","","","0.1611","0.1854","","","","","","1.077","","","","has coordinates,has disorder","250388","2020-10-21","18:00:00",""
"1558995","13.7178","0.0014","20.452","0.002","27.659","0.003","90","","90","","90","","7759.9","1.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[Bis(3,7-dibenzyl-1,5-di(1’-(R)-phenylethyl)-1,5-diaza-3,7-diphosphacyclooctane)- bis(acetonitrile)iron(II)] tetrafluoroborate","","- C76 H92 B2 F8 Fe N8 P4 -","- C76 H92 B2 F8 Fe N8 P4 -","- C304 H368 B8 F32 Fe4 N32 P16 -","4","1","","Spiridonova, Yulia S.; Nikolaeva, Yulia A.; Balueva, Anna S.; Musina, Elvira I.; Litvinov, Igor A.; Strelnik, Igor D.; Khrizanforova, Vera V.; Budnikova, Yulia G.; Karasik, Andrey A.","Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes.","Molecules (Basel, Switzerland)","2020","25","17","3775","","10.3390/molecules25173775","","","0.71073","MoKα","","0.2051","0.0791","","","0.1537","0.2081","","","","","","1.007","","","","has coordinates","256195","2020-10-21","18:00:00",""
"1558996","22.651","0.002","22.651","0.002","15.3431","0.0017","90","","90","","120","","6817.4","1.1","100","2","100","2","","","","","","","","8","P 3 2 1","P 3 2""","150","","[Bis(3,7-dibenzyl-1,5-di(1?-(R)-phenylethyl)-1,5-diaza-3,7-diphosphacyclooctane)- tetrafluoroboratoiron(II)] tetrafluoroborate","","- C249 H294 B5 F20 Fe3 N12 O15 P12 -","- C249 H330 B5 F20 Fe3 N12 O15 P12 -","- C249 H330 B5 F20 Fe3 N12 O15 P12 -","1","0.166667","","Spiridonova, Yulia S.; Nikolaeva, Yulia A.; Balueva, Anna S.; Musina, Elvira I.; Litvinov, Igor A.; Strelnik, Igor D.; Khrizanforova, Vera V.; Budnikova, Yulia G.; Karasik, Andrey A.","Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes.","Molecules (Basel, Switzerland)","2020","25","17","3775","","10.3390/molecules25173775","","","0.71073","MoKα","","0.2191","0.104","","","0.2221","0.2794","","","","","","0.973","","","","has coordinates","256196","2020-10-21","18:00:00",""
"1559974","8.882","0.0006","11.638","0.0007","18.0177","0.001","90","","100.305","0.002","90","","1832.42","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10,12-dimethoxy-7-phenyl-5H,7H-7λ4,14λ4-benzo[d]benzo[5,6][1,3,2]oxazaborinino[2,3-b][1,3,2]oxazaborinin-5-one","","- C22 H18 B N O5 -","- C22 H18 B N O5 -","- C88 H72 B4 N4 O20 -","4","1","","Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S.","Multicomponent Synthesis of Luminescent Iminoboronates.","Molecules (Basel, Switzerland)","2020","25","24","6039","","10.3390/molecules25246039","","","0.71073","MoKα","","0.1052","0.06","","","0.1091","0.1243","","","","","","1.063","","","","has coordinates","260832","2021-01-07","16:06:01",""
"1559975","28.3","0.002","7.6129","0.0007","17.6359","0.0014","90","","121.819","0.004","90","","3228.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 B N O3 -","- C20 H14 B N O3 -","- C160 H112 B8 N8 O24 -","8","1","","Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S.","Multicomponent Synthesis of Luminescent Iminoboronates.","Molecules (Basel, Switzerland)","2020","25","24","6039","","10.3390/molecules25246039","","","0.71073","MoKα","","0.1076","0.0663","","","0.139","0.1549","","","","","","1.128","","","","has coordinates","260833","2021-01-07","16:06:26",""
"1559976","11.1926","0.0005","10.5497","0.0005","15.8352","0.0008","90","","91.214","0.002","90","","1869.38","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10,12-dihydroxy-7-phenyl-5H,7H-7l4,14l4-benzo[d]benzo[5,6][1,3,2]oxazaborinino[2,3-b][1,3,2]oxazaborinin-5-one","","- C21 H18 B N O6 -","- C21 H18 B N O6 -","- C84 H72 B4 N4 O24 -","4","1","","Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S.","Multicomponent Synthesis of Luminescent Iminoboronates.","Molecules (Basel, Switzerland)","2020","25","24","6039","","10.3390/molecules25246039","","","0.71073","MoKα","","0.0533","0.0418","","","0.114","0.1203","","","","","","1.098","","","","has coordinates","260834","2021-01-07","16:06:49",""
"1559977","13.044","0.0008","9.8669","0.0006","18.6798","0.0011","90","","98.266","0.001","90","","2379.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H29 B17 N2 Ni -","- C14 H29 B17 N2 Ni -","- C56 H116 B68 N8 Ni4 -","4","1","","Andreichuk, Ekaterina P.; Anufriev, Sergey A.; Suponitsky, Kyrill Yu; Sivaev, Igor B.","The First Nickelacarborane with <i>closo</i>-<i>nido</i> Structure.","Molecules (Basel, Switzerland)","2020","25","24","6009","","10.3390/molecules25246009","","","0.71073","MoKα","","0.0785","0.0408","","","0.0843","0.099","","","","","","1.02","","","","has coordinates","260835","2021-01-07","16:07:14",""