# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-28T21:06:51+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') 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
"1516837","26.838","0.005","9.9597","0.0016","18.698","0.003","90","","133.339","0.004","90","","3635","1.1","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C168 H184 N8 O32 -","8","1","","Yuan, Ji-Wen; Qiu, Han-Yue; Wang, Peng-Fei; Makawana, Jigar A.; Yang, Yong-An; Zhang, Fei; Yin, Yong; Lin, Jie; Wang, Zhong-Chang; Zhu, Hai-Liang","Synthesis of caffeic acid amides bearing 2,3,4,5-tetra-hydrobenzo[b][1,4]dioxocine moieties and their biological evaluation as antitumor agents.","Molecules (Basel, Switzerland)","2014","19","6","7269","7286","10.3390/molecules19067269","","","0.71073","MoKα","","0.1965","0.0575","","","0.0984","0.131","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1529354","8.7358","0.0012","9.1761","0.0012","19.689","0.002","90","","116.096","0.008","90","","1417.4","0.3","295","2","295","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C14 H22 O2 Se -","- C14 H22 O2 Se -","- C56 H88 O8 Se4 -","4","1","","Prasad, Poonam Rajesh; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure and Antioxidant Activity of Cyclohexene-Fused Selenuranes and Related Derivatives.","Molecules (Basel, Switzerland)","2015","20","7","12670","12685","10.3390/molecules200712670","","","0.71073","MoKα","","0.0888","0.0567","","","0.1414","0.1529","","","","","","1.024","","","","has coordinates,has disorder","152923","2020-10-21","18:00:00",""
"1529355","15.7046","0.0002","8.83038","0.00016","19.1603","0.0003","90","","90","","90","","2657.1","0.07","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 O4 Te -","- C14 H16 O4 Te -","- C112 H128 O32 Te8 -","8","1","","Prasad, Poonam Rajesh; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure and Antioxidant Activity of Cyclohexene-Fused Selenuranes and Related Derivatives.","Molecules (Basel, Switzerland)","2015","20","7","12670","12685","10.3390/molecules200712670","","","1.54184","CuKα","","0.053","0.048","","","0.1271","0.133","","","","","","1.039","","","","has coordinates,has disorder","152924","2020-10-21","18:00:00",""
"1529356","15.034","0.0013","8.5925","0.0007","10.4102","0.0008","90","","112.358","0.004","90","","1243.69","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 O4 Se -","- C14 H16 O4 Se -","- C56 H64 O16 Se4 -","4","0.5","","Prasad, Poonam Rajesh; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure and Antioxidant Activity of Cyclohexene-Fused Selenuranes and Related Derivatives.","Molecules (Basel, Switzerland)","2015","20","7","12670","12685","10.3390/molecules200712670","","","0.71073","MoKα","","0.0269","0.0237","","","0.0597","0.0609","","","","","","1.099","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1529357","5.2482","0.0009","6.533","0.0011","10.6128","0.0018","90.532","0.01","102.774","0.011","109.139","0.01","333.93","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 Mn N8 O8 -","- C6 H14 Mn N8 O8 -","- C6 H14 Mn N8 O8 -","1","0.5","","Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís","Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials.","Molecules (Basel, Switzerland)","2015","20","7","12341","12363","10.3390/molecules200712341","","","0.71073","MoKα","","0.0603","0.0514","","","0.0828","0.0857","","","","","","1.226","","","","has coordinates","152926","2020-10-21","18:00:00",""
"1529358","9.537","0.003","6.865","0.002","17.12","0.005","90","","90","","90","","1120.9","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H8 N8 O5 Zn -","- C6 H8 N8 O5 Zn -","- C24 H32 N32 O20 Zn4 -","4","0.5","","Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís","Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials.","Molecules (Basel, Switzerland)","2015","20","7","12341","12363","10.3390/molecules200712341","","","0.71073","MoKα","","0.0568","0.0393","","","0.0867","0.0944","","","","","","1.19","","","","has coordinates","152927","2020-10-21","18:00:00",""
"1529359","8.1472","0.0006","9.9846","0.0007","9.3679","0.0006","90","","113.994","0.004","90","","696.2","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 Mn N4 O4 -","- C3 H6 Mn N4 O4 -","- C12 H24 Mn4 N16 O16 -","4","1","","Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís","Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials.","Molecules (Basel, Switzerland)","2015","20","7","12341","12363","10.3390/molecules200712341","","","0.71073","MoKα","","0.0474","0.0388","","","0.0896","0.0935","","","","","","0.993","","","","has coordinates","152928","2020-10-21","18:00:00",""
"1529360","8.9893","0.0013","8.9785","0.0013","13.9642","0.0016","90","","108.117","0.005","90","","1071.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N8 O5 -","- C6 H8 Cd N8 O5 -","- C24 H32 Cd4 N32 O20 -","4","1","","Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís","Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials.","Molecules (Basel, Switzerland)","2015","20","7","12341","12363","10.3390/molecules200712341","","","0.71073","MoKα","","0.0481","0.0432","","","0.1128","0.115","","","","","","1.137","","","","has coordinates","152929","2020-10-21","18:00:00",""
"1529361","27.111","0.006","12.697","0.003","7.7352","0.0017","90","","90","","90","","2662.7","1","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C12 H26 Fe2 N16 O16 -","- C12 H26 Fe2 N16 O16 -","- C48 H104 Fe8 N64 O64 -","4","0.5","","Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís","Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials.","Molecules (Basel, Switzerland)","2015","20","7","12341","12363","10.3390/molecules200712341","","","0.71073","MoKα","","0.0877","0.0436","","","0.0807","0.0925","","","","","","1.015","","","","has coordinates","152930","2020-10-21","18:00:00",""
"1529887","13.079","0.003","9.117","0.0018","8.934","0.0018","90","0.03","107.82","0.03","90","0.03","1014.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 N2 O8 P2 -","- C12 H30 N2 O8 P2 -","- C24 H60 N4 O16 P4 -","2","0.5","","Li, Yufeng; Jian, Fangfang","Molecular Structures of the Products of a Diphosphonate Ester Building Block with Lewis Bases.","Molecules (Basel, Switzerland)","2015","20","8","14435","14450","10.3390/molecules200814435","","","0.71073","MoKα","","0.0496","0.0374","","","0.0994","0.1068","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529888","8.201","0.0016","28.502","0.006","9.712","0.0019","90","","90","","90","","2270.1","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H18 Na2 O12 P2 -","- C12 H18 Na2 O12 P2 -","- C48 H72 Na8 O48 P8 -","4","0.5","","Li, Yufeng; Jian, Fangfang","Molecular Structures of the Products of a Diphosphonate Ester Building Block with Lewis Bases.","Molecules (Basel, Switzerland)","2015","20","8","14435","14450","10.3390/molecules200814435","","","0.71073","MoKα","","0.1459","0.0962","","","0.2405","0.2891","","","","","","1.065","","","","has coordinates","183088","2020-10-21","18:00:00",""
"1529889","13.431","0.003","8.8309","0.0018","7.781","0.0016","90","","123.98","0.03","90","","765.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H16 O6 P2 -","- C12 H16 O6 P2 -","- C24 H32 O12 P4 -","2","0.25","","Li, Yufeng; Jian, Fangfang","Molecular Structures of the Products of a Diphosphonate Ester Building Block with Lewis Bases.","Molecules (Basel, Switzerland)","2015","20","8","14435","14450","10.3390/molecules200814435","","","0.71073","MoKα","","0.0545","0.0504","","","0.1373","0.1416","","","","","","1.144","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529890","9.352","0.0019","10.458","0.002","15.736","0.003","81.56","0.03","82.84","0.03","63.46","0.03","1358.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H40 N2 O10 P2 -","- C18 H40 N2 O10 P2 -","- C36 H80 N4 O20 P4 -","2","1","","Li, Yufeng; Jian, Fangfang","Molecular Structures of the Products of a Diphosphonate Ester Building Block with Lewis Bases.","Molecules (Basel, Switzerland)","2015","20","8","14435","14450","10.3390/molecules200814435","","","0.71073","MoKα","","0.0903","0.057","","","0.1694","0.1925","","","","","","1.053","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1543018","10.044","0.0009","17.0692","0.0018","12.0304","0.0012","90","","95.588","0.003","90","","2052.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl N2 O7 -","- C20 H19 Cl N2 O7 -","- C80 H76 Cl4 N8 O28 -","4","1","","Xu, Wen-Qin; Chen, Min; Wang, Kun-Yao; Ren, Zheng-Jiao; Lu, Ai-Min; Yang, Chun-Long","Synthesis, Characterization, and Antifungal Activity of Phenylpyrrole-Substituted Tetramic Acids Bearing Carbonates.","Molecules (Basel, Switzerland)","2016","21","3","355","","10.3390/molecules21030355","","","0.71073","MoKα","","0.1007","0.0569","","","0.1644","0.1984","","","","","","1.023","","","","has coordinates,has disorder","181481","2020-10-21","18:00:00",""
"1543463","16.1899","0.0012","18.2778","0.0014","27.093","0.002","90","","101.513","0.002","90","","7855.9","1","120","","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C138 H178 Cl N2 Na Ni6 O52 Si12 -","- C138 H178 Cl N2 Na Ni6 O52 Si12 -","- C276 H356 Cl2 N4 Na2 Ni12 O104 Si24 -","2","0.5","","Bilyachenko, Alexey N.; Yalymov, Alexey I.; Shul'pina, Lidia S.; Mandelli, Dalmo; Korlyukov, Alexander A.; Vologzhanina, Anna V.; Es'kova, Marina A.; Shubina, Elena S.; Levitsky, Mikhail M.; Shul'pin, Georgiy B.","Novel Cage-Like Hexanuclear Nickel(II) Silsesquioxane. Synthesis, Structure, and Catalytic Activity in Oxidations with Peroxides.","Molecules (Basel, Switzerland)","2016","21","5","665","","10.3390/molecules21050665","","","0.71073","MoKα","","0.1883","0.0823","","","0.1614","0.205","","","","","","1.006","","","","has coordinates,has disorder","183650","2020-10-21","18:00:00",""
"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",""
"1560281","8.6034","0.0002","9.0805","0.0002","16.4248","0.0004","99.579","0.002","94.035","0.002","108.412","0.002","1190.09","0.05","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H27 B F2 I N3 O5 -","- C21 H27 B F2 I N3 O5 -","- C42 H54 B2 F4 I2 N6 O10 -","2","1","","Kuno, Atsuko; Maeda, Hiromitsu","Nitro-Substituted Dipyrrolyldiketone BF<sub>2</sub> Complexes as Electronic-State-Adjustable Anion-Responsive π-Electronic Systems.","Molecules (Basel, Switzerland)","2021","26","3","595","","10.3390/molecules26030595","","","1.54184","CuKα","","0.0778","0.076","","","0.219","0.2207","","","","","","1.05","","","","has coordinates,has disorder","261790","2021-02-05","09:48:06",""
"1560282","11.2903","0.0001","22.2353","0.0002","16.8402","0.0001","90","","98.74","0.001","90","","4178.53","0.06","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 B F2 I N3 O4 -","- C19 H23 B F2 I N3 O4 -","- C152 H184 B8 F16 I8 N24 O32 -","8","2","","Kuno, Atsuko; Maeda, Hiromitsu","Nitro-Substituted Dipyrrolyldiketone BF<sub>2</sub> Complexes as Electronic-State-Adjustable Anion-Responsive π-Electronic Systems.","Molecules (Basel, Switzerland)","2021","26","3","595","","10.3390/molecules26030595","","","1.54184","CuKα","","0.0327","0.031","","","0.0839","0.0849","","","","","","1.034","","","","has coordinates","261790","2021-02-05","09:48:07",""
"1560837","10.852","0.002","25.406","0.005","12.801","0.002","90","","109.74","0.03","90","","3321.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 Co3 N8 O16 S6 -","- C62 H56 Co3 N8 O16 S6 -","- C124 H112 Co6 N16 O32 S12 -","2","0.5","","Dubskikh, Vadim A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","3D Metal-Organic Frameworks Based on Co(II) and Bithiophendicarboxylate: Synthesis, Crystal Structures, Gas Adsorption, and Magnetic Properties.","Molecules (Basel, Switzerland)","2021","26","5","1269","","10.3390/molecules26051269","","","0.79313","synchrotron","","0.0575","0.0506","","","0.1375","0.1429","","","","","","1.052","","","","has coordinates,has disorder","262759","2021-03-05","13:37:07",""
"1560838","11.96","0.02","25.867","0.008","11.461","0.016","90","","106.49","0.03","90","","3400","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Co3 N6 O20 S6 -","- C42 H40 Co3 N4 O16 S6 -","- C84 H80 Co6 N8 O32 S12 -","2","0.5","","Dubskikh, Vadim A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","3D Metal-Organic Frameworks Based on Co(II) and Bithiophendicarboxylate: Synthesis, Crystal Structures, Gas Adsorption, and Magnetic Properties.","Molecules (Basel, Switzerland)","2021","26","5","1269","","10.3390/molecules26051269","","","0.79313","synchrotron","","0.117","0.0762","","","0.2142","0.2365","","","","","","1.044","","","","has coordinates,has disorder","262760","2021-03-05","13:37:51",""
"1560839","11.746","0.002","42.15","0.004","51.849","0.002","90","","90","","90","","25670","5","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C52 H61 Co3 N8 O19.5 S6 -","- C40 H30 Co3 N4 O14 S6 -","- C640 H480 Co48 N64 O224 S96 -","16","0.5","","Dubskikh, Vadim A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","3D Metal-Organic Frameworks Based on Co(II) and Bithiophendicarboxylate: Synthesis, Crystal Structures, Gas Adsorption, and Magnetic Properties.","Molecules (Basel, Switzerland)","2021","26","5","1269","","10.3390/molecules26051269","","","0.79313","synchrotron","","0.0442","0.0361","","","0.0961","0.0997","","","","","","1.073","","","","has coordinates","262761","2021-03-05","13:38:28",""
"1566322","7.9178","0.0001","8.1363","0.0001","20.5574","0.0003","90","","90","","90","","1324.34","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Feng, Rui; Fan, Jia-Hui; Li, Kai; Li, Zhi-Gang; Qin, Yan; Li, Zi-Ying; Li, Wei; Bu, Xian-He","Temperature-Responsive Photoluminescence and Elastic Properties of 1D Lead Halide Perovskites R- and S-(Methylbenzylamine)PbBr3","Molecules","2022","27","3","728","","10.3390/molecules27030728","","x-ray","1.54184","CuKα","","0.0416","0.041","","","0.1051","0.1057","","","","","","1.044","","","","has coordinates","272807","2022-02-05","18:44:19",""
"1566323","7.8835","0.0003","8.068","0.0003","20.1237","0.0008","90","","90","","90","","1279.95","0.09","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Feng, Rui; Fan, Jia-Hui; Li, Kai; Li, Zhi-Gang; Qin, Yan; Li, Zi-Ying; Li, Wei; Bu, Xian-He","Temperature-Responsive Photoluminescence and Elastic Properties of 1D Lead Halide Perovskites R- and S-(Methylbenzylamine)PbBr3","Molecules","2022","27","3","728","","10.3390/molecules27030728","","x-ray","0.71073","MoKα","","0.0467","0.0449","","","0.1061","0.1071","","","","","","1.041","","","","has coordinates","272808","2022-02-05","18:44:35",""
"1567074","13.9156","0.0003","3.92009","0.00008","30.0833","0.0006","90","","102.038","0.001","90","","1604.97","0.06","99.99","","99.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Br4 Cl4 N4 O12 Pd4 -","- C64 H60 Br4 Cl4 N4 O12 Pd4 -","- C64 H60 Br4 Cl4 N4 O12 Pd4 -","1","0.25","","Bermúdez-Puente, Brais; Adrio, Luis A.; Lucio-Martínez, Fátima; Reigosa, Francisco; Ortigueira, Juan M.; Vila, José M.","Imine Palladacycles: Synthesis, Structural Analysis and Application in Suzuki–Miyaura Cross Coupling in Semi-Aqueous Media","Molecules","2022","27","10","3146","","10.3390/molecules27103146","","","0.71073","MoKα","","0.0448","0.0283","","","0.0501","0.0541","","","","","","1.0355","","","","has coordinates","275854","2022-06-07","03:54:48",""
"1567075","8.7215","0.0001","10.1275","0.0001","12.8202","0.0001","101.771","0.001","103.693","0.001","90.843","0.001","1074.68","0.019","130.02","0.16","130.02","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl N4 O2 -","- C24 H21 Cl N4 O2 -","- C48 H42 Cl2 N8 O4 -","2","1","","Govdi, Anastasia I.; Tokareva, Polina V.; Rumyantsev, Andrey M.; Panov, Maxim S.; Stellmacher, Johannes; Alexiev, Ulrike; Danilkina, Natalia A.; Balova, Irina A.","4,5-Bis(arylethynyl)-1,2,3-triazoles-A New Class of Fluorescent Labels: Synthesis and Applications.","Molecules (Basel, Switzerland)","2022","27","10","3191","","10.3390/molecules27103191","","x-ray","1.54184","CuKα","","0.0374","0.0365","","","0.0955","0.0964","","","","","","1.054","","","","has coordinates","275855","2022-06-07","03:55:14",""
"1568600","10.5007","0.0005","10.5738","0.0006","11.029","0.0005","102.277","0.004","91.709","0.004","117.108","0.005","1053.76","0.11","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Mn N2 O4 S2 -","- C22 H16 Mn N2 O4 S2 -","- C44 H32 Mn2 N4 O8 S4 -","2","1","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","x-ray","0.71073","MoKα","","0.0506","0.0384","","","0.0884","0.0936","","","","","","1.046","","","","has coordinates","281637","2023-03-05","23:20:05",""
"1568601","10.88","0.005","25.477","0.001","12.919","0.004","90","","109.29","0.02","90","","3380","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H40 Mn3 N4 O12 S6 -","- C62 H40 Mn3 N4 O12 S6 -","- C124 H80 Mn6 N8 O24 S12 -","2","0.5","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","","0.745","synchrotron","","0.0606","0.0502","","","0.1459","0.153","","","","","","1.061","","","","has coordinates,has disorder","281638","2023-03-05","23:20:27",""
"1568602","16.206","0.003","11.501","0.004","22.561","0.003","90","","107.876","0.006","90","","4002","1.7","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C34.5 H26.5 Mn2 N3.5 O9.5 S4 -","- C34.5 H26.5 Mn2 N3.5 O9.5 S4 -","- C138 H106 Mn8 N14 O38 S16 -","4","1","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","","0.79313","synchrotron","","0.0568","0.0516","","","0.1493","0.1533","","","","","","1.028","","","","has coordinates,has disorder","281639","2023-03-05","23:20:53",""
"1568603","14.9591","0.0005","17.085","0.0006","17.8936","0.0007","90","","104.678","0.004","90","","4423.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Mn2 N4 O10 S4 -","- C38 H34 Mn2 N4 O10 S4 -","- C152 H136 Mn8 N16 O40 S16 -","4","1","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","x-ray","0.71073","MoKα","","0.0506","0.0409","","","0.1194","0.1245","","","","","","1.047","","","","has coordinates,has disorder","281640","2023-03-05","23:21:20",""
"1568604","16.4304","0.0005","25.1354","0.0009","18.4058","0.0005","90","","94.705","0.003","90","","7575.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H71 Mn3 N9 O17 S6 -","- C69 H71 Mn3 N9 O17 S6 -","- C276 H284 Mn12 N36 O68 S24 -","4","1","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","x-ray","0.71073","MoKα","","0.0467","0.0323","","","0.0787","0.084","","","","","","1.046","","","","has coordinates,has disorder","281641","2023-03-05","23:21:45",""
"1568605","10.9298","0.0004","25.5452","0.0011","13.0284","0.0005","90","","111.044","0.004","90","","3395","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 Mn3 N8 O16 S6 -","- C62 H56 Mn3 N8 O16 S6 -","- C124 H112 Mn6 N16 O32 S12 -","2","0.5","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","x-ray","0.71073","MoKα","","0.0482","0.0395","","","0.1109","0.116","","","","","","1.041","","","","has coordinates,has disorder","281642","2023-03-05","23:22:19",""
"1568606","3.9619","0.0004","24.465","0.002","12.6409","0.0013","90","","96.409","0.009","90","","1217.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N S -","- C13 H8 Br N S -","- C52 H32 Br4 N4 S4 -","4","1","","Ye, Dongnai; Liu, Lei; Zhang, Yujie; Qiu, Jiabin; Tan, Zhirong; Xing, Yuqin; Liu, Shiyong","Tunable Donor–Acceptor Linear Conjugated Polymers Involving Cyanostyrylthiophene Linkages for Visible-Light-Driven Hydrogen Production","Molecules","2023","28","5","2203","","10.3390/molecules28052203","","","0.71073","MoKα","","0.1821","0.1027","","","0.2535","0.2997","","","","","","1.067","","","","has coordinates","281643","2023-03-05","23:22:42",""
"1568607","8.78","0.0018","8.92","0.0018","11.62","0.002","84.56","0.03","81.25","0.03","76.39","0.03","872.6","0.3","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C20 H21 O7 -","- C20 H22 O7 -","- C40 H44 O14 -","2","2","","Mathew, Shintu; Zhang, Kenneth; Zhou, Xian; Münch, Gerald; Bodkin, Francis; Li, Feng; Raju, Ritesh","Myrtinols A–F: New Anti-Inflammatory Peltogynoid Flavonoid Derivatives from the Leaves of Australian Indigenous Plant Backhousia myrtifolia","Molecules","2023","28","5","2160","","10.3390/molecules28052160","","","0.71073","MoKα","","0.0387","0.0383","","","0.1031","0.1045","","","","","","1.048","","","","has coordinates","281644","2023-03-05","23:23:11",""
"1568608","9.8772","0.0004","9.1364","0.0003","20.2948","0.0007","90","","103.341","0.0017","90","","1782.02","0.11","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Fe N8 O4 -","- C44 H32 Fe N8 O4 -","- C88 H64 Fe2 N16 O8 -","2","0.5","","Li, Qing; Xu, Bo-Wei; Zou, Yi-Ming; Niu, Ru-Jie; Chen, Jin-Xiang; Zhang, Wen-Hua; Young, David James.","Nanoscale Two-Dimensional FeII- and CoII-Based Metal–Organic Frameworks of Porphyrin Ligand for the Photodynamic Therapy of Breast Cancer","Molecules","2023","28","5","2125","","10.3390/molecules28052125","","","1.34138","GaKα","","0.0716","0.0533","","","0.1627","0.1834","","","","","","1.048","","","","has coordinates","281645","2023-03-05","23:23:35",""
"1568609","10.2162","0.0002","15.0449","0.0003","19.1173","0.0003","90","","90.438","0.001","90","","2938.28","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H49 B10 N O2 -","- C23 H49 B10 N O2 -","- C92 H196 B40 N4 O8 -","4","1","","Klyukin, Ilya N.; Kolbunova, Anastasia V.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.","Synthesis of Disubstituted Carboxonium Derivatives of <i>Closo</i>-Decaborate Anion [2,6-B<sub>10</sub>H<sub>8</sub>O<sub>2</sub>CC<sub>6</sub>H<sub>5</sub>]<sup>-</sup>: Theoretical and Experimental Study.","Molecules (Basel, Switzerland)","2023","28","4","1757","","10.3390/molecules28041757","","","1.54178","CuKα","","0.1295","0.0966","","","0.2187","0.2385","","","","","","1.086","","","","has coordinates","281646","2023-03-05","23:24:43",""
"1568610","33.7993","0.001","33.7993","0.001","7.9398","0.0005","90","","90","","90","","9070.4","0.7","298.15","","298.15","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C112 H70 N8 O59 Y8 -","- C112 H70 N8 O59 Y8 -","- C224 H140 N16 O118 Y16 -","2","0.25","","Li, Juan; Wang, Airong; Qiu, Shiming; Wang, Xiaoli; Li, Jiaming","A 12-Connected [Y<sub>4</sub>((<i>μ</i><sub>3</sub>-OH)<sub>4</sub>]<sup>8+</sup> Cluster-Based Luminescent Metal-Organic Framework for Selective Turn-on Detection of F<sup>-</sup> in H<sub>2</sub>O.","Molecules (Basel, Switzerland)","2023","28","4","1893","","10.3390/molecules28041893","","x-ray","0.71073","MoKα","","0.1419","0.1209","","","0.3069","0.3291","","","","","","1.053","","","","has coordinates,has disorder","281647","2023-03-05","23:25:10",""
"1568787","7.8478","0.0006","4.8691","0.0003","42.509","0.003","90","","92.142","0.006","90","","1623.2","0.2","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 N2 O4 -","- C36 H50 N2 O4 -","- C72 H100 N4 O8 -","2","0.5","","Chlebosz, Dorota; Goldeman, Waldemar; Janus, Krzysztof; Szuster, Michał; Kiersnowski, Adam","Synthesis, Solution, and Solid State Properties of Homological Dialkylated Naphthalene Diimides—A Systematic Review of Molecules for Next-Generation Organic Electronics","Molecules","2023","28","7","2940","","10.3390/molecules28072940","","x-ray","0.71073","MoKα","","0.0847","0.0492","","","0.1045","0.1192","","","","","","1.019","","","","has coordinates","282366","2023-04-05","02:11:32",""
"1568788","7.873","0.0002","4.84356","0.00013","33.0246","0.0009","90","","95.025","0.003","90","","1254.5","0.06","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N2 O4 -","- C28 H34 N2 O4 -","- C56 H68 N4 O8 -","2","0.5","","Chlebosz, Dorota; Goldeman, Waldemar; Janus, Krzysztof; Szuster, Michał; Kiersnowski, Adam","Synthesis, Solution, and Solid State Properties of Homological Dialkylated Naphthalene Diimides—A Systematic Review of Molecules for Next-Generation Organic Electronics","Molecules","2023","28","7","2940","","10.3390/molecules28072940","","x-ray","0.71073","MoKα","","0.0565","0.0463","","","0.1128","0.1182","","","","","","1.096","","","","has coordinates","282367","2023-04-05","02:12:06",""
"1568789","7.8486","0.0005","4.8383","0.0005","37.741","0.002","90","","95.026","0.006","90","","1427.66","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 O4 -","- C32 H42 N2 O4 -","- C64 H84 N4 O8 -","2","0.5","","Chlebosz, Dorota; Goldeman, Waldemar; Janus, Krzysztof; Szuster, Michał; Kiersnowski, Adam","Synthesis, Solution, and Solid State Properties of Homological Dialkylated Naphthalene Diimides—A Systematic Review of Molecules for Next-Generation Organic Electronics","Molecules","2023","28","7","2940","","10.3390/molecules28072940","","x-ray","0.56087","AgKα","","0.0659","0.0439","","","0.1064","0.1189","","","","","","1.044","","","","has coordinates","282368","2023-04-05","02:12:41",""
"1568790","11.6071","0.0016","16.655","0.002","11.7541","0.0019","90","","113.396","0.003","90","","2085.4","0.5","294","2","294","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl F6 N2 O4 P Ru -","- C42 H48 Cl F6 N2 O4 P Ru -","- C84 H96 Cl2 F12 N4 O8 P2 Ru2 -","2","1","","Kacsir, István; Sipos, Adrienn; Major, Evelin; Bajusz, Nikolett; Bényei, Attila; Buglyó, Péter; Somsák, László; Kardos, Gábor; Bai, Péter; Bokor, Éva","Half-Sandwich Type Platinum-Group Metal Complexes of C-Glucosaminyl Azines: Synthesis and Antineoplastic and Antimicrobial Activities","Molecules","2023","28","7","3058","","10.3390/molecules28073058","","x-ray","0.71073","MoKα","","0.1504","0.0826","","","0.1483","0.1847","","","","","","1.065","","","","has coordinates","282369","2023-04-05","02:13:14",""
"1569072","13.631","0.0005","14.463","0.0006","15.8288","0.0006","112.847","0.001","92.606","0.001","109.383","0.001","2657.65","0.18","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H65 Cu F6 N5 O4 P -","- C55 H65 Cu F6 N5 O4 P -","- C110 H130 Cu2 F12 N10 O8 P2 -","2","1","","Kaluarachchige Don, Umesh I.; Almaat, Ahmad S.; Ward, Cassandra L.; Groysman, Stanislav","Studies Relevant to the Functional Model of Mo-Cu CODH: In Situ Reactions of Cu(I)-L Complexes with Mo(VI) and Synthesis of Stable Structurally Characterized Heterotetranuclear Mo<sup>VI</sup><sub>2</sub>Cu<sup>I</sup><sub>2</sub> Complex.","Molecules (Basel, Switzerland)","2023","28","8","3644","","10.3390/molecules28083644","","","0.71073","MoKα","","0.0428","0.0372","","","0.0969","0.1011","","","","","","1.04","","","","has coordinates","283546","2023-05-06","01:32:59",""
"1569073","20.546","0.005","21.591","0.007","25.679","0.007","90","","109.253","0.006","90","","10754","5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C114 H122 Cu2 Mo2 N14 O12 Si -","- C114 H122 Cu2 Mo2 N14 O12 Si -","- C456 H488 Cu8 Mo8 N56 O48 Si4 -","4","1","","Kaluarachchige Don, Umesh I.; Almaat, Ahmad S.; Ward, Cassandra L.; Groysman, Stanislav","Studies Relevant to the Functional Model of Mo-Cu CODH: In Situ Reactions of Cu(I)-L Complexes with Mo(VI) and Synthesis of Stable Structurally Characterized Heterotetranuclear Mo<sup>VI</sup><sub>2</sub>Cu<sup>I</sup><sub>2</sub> Complex.","Molecules (Basel, Switzerland)","2023","28","8","3644","","10.3390/molecules28083644","","","0.71073","MoKα","","0.0996","0.0682","","","0.176","0.1977","","","","","","1.022","","","","has coordinates,has disorder","283547","2023-05-06","01:33:42",""
"1569074","7.4636","0.0005","8.4407","0.0003","25.5378","0.0012","97.847","0.003","93.939","0.006","95.084","0.004","1582.17","0.14","","","297","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","2","","Budziak-Wieczorek, Iwona; Kamiński, Daniel; Skrzypek, Alicja; Ciołek, Anna; Skrzypek, Tomasz; Janik-Zabrotowicz, Ewa; Arczewska, Marta","Naturally Occurring Chalcones with Aggregation-Induced Emission Enhancement Characteristics.","Molecules (Basel, Switzerland)","2023","28","8","3412","","10.3390/molecules28083412","","x-ray","1.54184","CuKα","","0.0953","0.0788","","","0.2327","0.2634","","","","","","1.0364","","","","has coordinates","283548","2023-05-06","01:34:21",""
"1569075","25.7114","0.0006","15.3506","0.0003","6.8717","0.0002","90","","97.058","0.003","90","","2691.61","0.11","","","293","","","","1025","","","","Sigma aldrich","3","P 1 21/c 1","-P 2ybc","14","cardamonin","(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","2","","Budziak-Wieczorek, Iwona; Kamiński, Daniel; Skrzypek, Alicja; Ciołek, Anna; Skrzypek, Tomasz; Janik-Zabrotowicz, Ewa; Arczewska, Marta","Naturally Occurring Chalcones with Aggregation-Induced Emission Enhancement Characteristics.","Molecules (Basel, Switzerland)","2023","28","8","3412","","10.3390/molecules28083412","","x-ray","1.54184","CuKα","","0.0839","0.0678","","","0.2274","0.2409","","","","","","1.0594","","","","has coordinates","283549","2023-05-06","01:35:03",""
"1569076","19.354","0.004","15.2873","0.0018","7.2681","0.0011","90","","97.215","0.018","90","","2133.4","0.6","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Isobavachalcone","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Budziak-Wieczorek, Iwona; Kamiński, Daniel; Skrzypek, Alicja; Ciołek, Anna; Skrzypek, Tomasz; Janik-Zabrotowicz, Ewa; Arczewska, Marta","Naturally Occurring Chalcones with Aggregation-Induced Emission Enhancement Characteristics.","Molecules (Basel, Switzerland)","2023","28","8","3412","","10.3390/molecules28083412","","x-ray","1.54184","CuKα","","0.3082","0.2758","","","0.5307","0.5557","","","","","","1.918","","","","has coordinates","283550","2023-05-06","01:35:33",""
"1569077","9.9962","0.0002","10.9047","0.0002","11.7215","0.0002","90","","96.101","0.002","90","","1270.47","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 B5 N3 O11 -","- C2 H14 B5 N3 O11 -","- C8 H56 B20 N12 O44 -","4","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","0.71075","MoKα","K-L~3~","0.0275","0.0267","","","0.0737","0.0743","","","","","","1.071","","","","has coordinates","283551","2023-05-06","01:36:13",""
"1569078","9.3096","0.0006","9.3175","0.0003","9.3733","0.0006","76.598","0.005","85.611","0.005","79.947","0.004","778.22","0.08","99.9","0.7","99.9","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C7 H18 B5 N3 O10 -","- C7 H18 B5 N3 O10 -","- C14 H36 B10 N6 O20 -","2","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","1.54178","CuKα","","0.0616","0.0561","","","0.1677","0.1747","","","","","","1.076","","","","has coordinates,has disorder","283552","2023-05-06","01:36:39",""
"1569079","9.4957","0.0001","11.449","0.0001","16.8459","0.0001","90","","98.071","0.001","90","","1813.28","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H23 B6 N3 O13 -","- C6 H23 B6 N3 O13 -","- C24 H92 B24 N12 O52 -","4","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","1.54178","CuKα","","0.0268","0.0263","","","0.067","0.0674","","","","","","1.004","","","","has coordinates","283553","2023-05-06","01:37:15",""
"1569080","7.487","0.0002","8.5076","0.0002","9.6502","0.0002","93.906","0.002","98.47","0.002","96.457","0.002","601.88","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C H11 B5 N4 O10 -","- C H11 B5 N4 O10 -","- C2 H22 B10 N8 O20 -","2","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","1.54178","CuKα","","0.0302","0.0294","","","0.0818","0.0827","","","","","","1.04","","","","has coordinates","283554","2023-05-06","01:37:46",""
"1569081","9.5035","0.0003","9.5151","0.0003","10.4386","0.0003","65.381","0.001","69.049","0.002","88.603","0.002","792.72","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H18 B5 N3 O10 -","- C5 H18 B5 N3 O10 -","- C10 H36 B10 N6 O20 -","2","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","","0.71073","MoKα","","0.0493","0.0373","","","0.0873","0.0935","","","","","","1.057","","","","has coordinates","283555","2023-05-06","01:38:15",""
"1569082","9.9747","0.0002","11.2563","0.0003","11.6174","0.0003","90","","96.084","0.002","90","","1297.03","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H14 B5 N3 O10 -","- C3 H14 B5 N3 O10 -","- C12 H56 B20 N12 O40 -","4","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","0.71075","MoKα","","0.0306","0.028","","","0.0794","0.0811","","","","","","1.035","","","","has coordinates","283556","2023-05-06","01:38:50",""
"1569083","8.7226","0.0002","12.4479","0.0003","14.1827","0.0004","90","","107.294","0.001","90","","1470.31","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Fe2 N2 O2 -","- C16 H16 Fe2 N2 O2 -","- C64 H64 Fe8 N8 O8 -","4","1","","Bresciani, Giulio; Zacchini, Stefano; Pampaloni, Guido; Bortoluzzi, Marco; Marchetti, Fabio","Diiron Aminocarbyne Complexes with NCE<sup>-</sup> Ligands (E = O, S, Se).","Molecules (Basel, Switzerland)","2023","28","7","3251","","10.3390/molecules28073251","","","0.71073","MoKα","","0.0353","0.0283","","","0.0632","0.0677","","","","","","1.074","","","","has coordinates","283557","2023-05-06","01:39:16",""
"1569084","19.1245","0.0015","24.418","0.0018","15.6004","0.0011","90","","109.5","0.005","90","","6867.2","0.9","100","2","100","2","","","","","","","as described","3","C 1 2 1","C 2y","5","","","","- C51 H82 O46.5 -","- C51 H82 O46.5 -","- C204 H328 O186 -","4","1","","Mazurek, Anna Helena; Szeleszczuk, Łukasz; Bethanis, Kostas; Christoforides, Elias; Dudek, Marta Katarzyna; Zielińska-Pisklak, Monika; Pisklak, Dariusz Maciej","17-β-Estradiol—β-Cyclodextrin Complex as Solid: Synthesis, Structural and Physicochemical Characterization","Molecules","2023","28","9","3747","","10.3390/molecules28093747","","x-ray","1.54178","CuKα","","0.104","0.0952","","","0.2591","0.2688","","","","","","1.038","","","","has coordinates,has disorder","283558","2023-05-06","01:39:58",""
"1569085","24.891","0.002","7.3061","0.0007","11.7772","0.0011","90","","90","","90","","2141.8","0.3","296.15","","296.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","ndi-cd-water","","- C40 H30 Cd N4 O19 -","- C40 H30 Cd N4 O19 -","- C80 H60 Cd2 N8 O38 -","2","0.5","","Hussain, Wajid; Khan, Maroof Ahmad; Li, Zhongkui; Iqbal, Muhammad Javed; Ilyas, Mubashar; Li, Hui","The Electronic Properties of Cadmium Naphthalene Diimide Coordination Complex","Molecules","2023","28","9","3709","","10.3390/molecules28093709","","","0.71073","MoKα","","0.0326","0.0305","","","0.0803","0.0822","","","","","","1.027","","","","has coordinates,has disorder","283559","2023-05-06","01:40:49",""
"1569283","9.0126","0.0003","30.5182","0.0012","12.6586","0.0005","90","","103.306","0.001","90","","3388.3","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","1","","- C87 H68 N5 O12 -","- C88 H76 N4 O12 -","- C176 H152 N8 O24 -","2","1","","Zhang, Xiao-Wen; Chen, Xu-Lin; Lu, Can-Zhong","High-Contrast Visualization Chemiluminescence Based on AIE-Active and Base-Sensitive Emitters.","Molecules (Basel, Switzerland)","2023","28","9","3976","","10.3390/molecules28093976","","","0.71073","MoKα","","0.1787","0.0868","","","0.1931","0.2405","","","","","","1.033","","","","has coordinates","284359","2023-06-06","02:20:41",""
"1569284","22.252","0.0011","22.252","0.0011","8.1795","0.0005","90","","90","","90","","4050.1","0.4","200","","200","","","","","","","","","4","P -4","P -4","81","","","","- C50 H38 N2 O6 -","- C50 H38 N2 O6 -","- C200 H152 N8 O24 -","4","1","","Zhang, Xiao-Wen; Chen, Xu-Lin; Lu, Can-Zhong","High-Contrast Visualization Chemiluminescence Based on AIE-Active and Base-Sensitive Emitters.","Molecules (Basel, Switzerland)","2023","28","9","3976","","10.3390/molecules28093976","","","0.71073","MoKα","","0.1339","0.0566","","","0.1214","0.157","","","","","","1.008","","","","has coordinates","284360","2023-06-06","02:21:13",""
"1569285","7.6363","0.0016","11.878","0.003","13.501","0.003","107.789","0.006","103.545","0.006","102.577","0.006","1076.8","0.4","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H26 O7 -","- C22 H26 O7 -","- C44 H52 O14 -","2","1","","Yu, Xiang; Xi, Yinkai; Sui, Yi; Liu, Yang; Chen, Guifen; Zhang, Minjie; Zhang, Yan; Luo, Guoyong; Long, Yi; Yang, Wude","Hydroxide-Mediated SNAr Rearrangement for Synthesis of Novel Depside Derivatives Containing Diaryl Ether Skeleton as Antitumor Agents","Molecules","2023","28","11","4303","","10.3390/molecules28114303","","","0.71073","MoKα","","0.1641","0.0789","","","0.2165","0.2722","","","","","","1.027","","","","has coordinates,has disorder","284361","2023-06-06","02:21:57",""
"1569286","12.3291","0.0011","7.9656","0.0008","25.755","0.002","90","","100.544","0.003","90","","2486.7","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 O8 S -","- C24 H32 O8 S -","- C96 H128 O32 S4 -","4","1","","Yu, Xiang; Xi, Yinkai; Sui, Yi; Liu, Yang; Chen, Guifen; Zhang, Minjie; Zhang, Yan; Luo, Guoyong; Long, Yi; Yang, Wude","Hydroxide-Mediated SNAr Rearrangement for Synthesis of Novel Depside Derivatives Containing Diaryl Ether Skeleton as Antitumor Agents","Molecules","2023","28","11","4303","","10.3390/molecules28114303","","","0.71073","MoKα","","0.0986","0.0601","","","0.1503","0.1726","","","","","","1.03","","","","has coordinates,has disorder","284362","2023-06-06","02:22:22",""
"1569473","14.3656","0.001","14.9057","0.0008","6.8654","0.0004","90","","90.238","0.006","90","","1470.07","0.16","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl2 Cu N2 O -","- C16 H10 Cl2 Cu N2 O -","- C64 H40 Cl8 Cu4 N8 O4 -","4","1","","Gai, Shuangshuang; He, Liqin; He, Mingxian; Zhong, Xuwei; Jiang, Caiyun; Qin, Yiming; Jiang, Ming","Anticancer Activity and Mode of Action of Cu(II), Zn(II), and Mn(II) Complexes with 5-Chloro-2-<i>N</i>-(2-quinolylmethylene)aminophenol.","Molecules (Basel, Switzerland)","2023","28","12","4876","","10.3390/molecules28124876","","","0.71073","MoKα","","0.0715","0.0461","","","0.0869","0.0933","","","","","","1.076","","","","has coordinates","285037","2023-07-06","08:40:24",""
"1569474","9.607","0.005","10.533","0.006","11.07","0.007","79.41","0.05","64.7","0.06","87.98","0.04","994.3","1.1","293","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Cl2 N3 O Zn -","- C21 H15 Cl2 N3 O Zn -","- C42 H30 Cl4 N6 O2 Zn2 -","2","1","","Gai, Shuangshuang; He, Liqin; He, Mingxian; Zhong, Xuwei; Jiang, Caiyun; Qin, Yiming; Jiang, Ming","Anticancer Activity and Mode of Action of Cu(II), Zn(II), and Mn(II) Complexes with 5-Chloro-2-<i>N</i>-(2-quinolylmethylene)aminophenol.","Molecules (Basel, Switzerland)","2023","28","12","4876","","10.3390/molecules28124876","","","0.71073","MoKα","","0.1161","0.0751","","","0.1902","0.2492","","","","","","1.009","","","","has coordinates","285038","2023-07-06","08:41:15",""
"1569475","7.08","0.004","11.346","0.006","13.326","0.007","107.037","0.008","100.842","0.009","105.105","0.009","946.7","0.9","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Cl2 Mn N2 O4 -","- C17 H18 Cl2 Mn N2 O4 -","- C34 H36 Cl4 Mn2 N4 O8 -","2","1","","Gai, Shuangshuang; He, Liqin; He, Mingxian; Zhong, Xuwei; Jiang, Caiyun; Qin, Yiming; Jiang, Ming","Anticancer Activity and Mode of Action of Cu(II), Zn(II), and Mn(II) Complexes with 5-Chloro-2-<i>N</i>-(2-quinolylmethylene)aminophenol.","Molecules (Basel, Switzerland)","2023","28","12","4876","","10.3390/molecules28124876","","","0.71073","MoKα","","0.0899","0.0459","","","0.1099","0.135","","","","","","0.959","","","","has coordinates","285039","2023-07-06","08:42:22",""
"1569646","15.73","0.0002","18.2546","0.0004","17.1794","0.0003","90","","90","","90","","4932.98","0.15","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H21 Cl Cu Ge N4 O4 -","- C26 H21 Cl Cu Ge N4 O4 -","- C208 H168 Cl8 Cu8 Ge8 N32 O32 -","8","1","","Wagler, Jörg; Gericke, Robert","Ge-Cu-Complexes Ph(pyO)Ge(μ<sup>2</sup>-pyO)<sub>2</sub>CuCl and PhGe(μ<sup>2</sup>-pyO)<sub>4</sub>CuCl-Representatives of Cu(I)→Ge(IV) and Cu(II)→Ge(IV) Dative Bond Systems.","Molecules (Basel, Switzerland)","2023","28","14","5442","","10.3390/molecules28145442","","","0.71073","MoKα","","0.0509","0.0356","","","0.0761","0.0817","","","","","","1.085","","","","has coordinates","285567","2023-08-06","05:07:56",""
"1569647","14.4369","0.0002","8.7499","0.0001","16.2903","0.0003","90","","92.555","0.001","90","","2055.77","0.05","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl Cu Ge N3 O3 -","- C21 H17 Cl Cu Ge N3 O3 -","- C84 H68 Cl4 Cu4 Ge4 N12 O12 -","4","1","","Wagler, Jörg; Gericke, Robert","Ge-Cu-Complexes Ph(pyO)Ge(μ<sup>2</sup>-pyO)<sub>2</sub>CuCl and PhGe(μ<sup>2</sup>-pyO)<sub>4</sub>CuCl-Representatives of Cu(I)→Ge(IV) and Cu(II)→Ge(IV) Dative Bond Systems.","Molecules (Basel, Switzerland)","2023","28","14","5442","","10.3390/molecules28145442","","","0.71073","MoKα","","0.0309","0.0263","","","0.0651","0.0671","","","","","","1.097","","","","has coordinates","285568","2023-08-06","05:09:20",""
"1569819","7.2605","0.0002","14.3218","0.0003","18.004","0.0003","70.891","0.002","86.709","0.002","84.755","0.002","1760.8","0.07","100","0.1","100","0.1","","","","","","","","7","P 1","P 1","1","","","","- C77 H70 F3 N8 O3 Pt2 S -","- C77 H70 F3 N8 O3 Pt2 S -","- C77 H70 F3 N8 O3 Pt2 S -","1","1","","Jing, Jing; Yu, Miao; Pan, Lei; Zhao, Yang; Xu, Guo; Zhang, Hua-Hong; Li, Chen; Zhang, Xiao-Peng","Synthesis and Biological Activities of Luminescent 5,6-Membered Bis(Metallacyclic) Platinum(II) Complexes","Molecules","2023","28","17","6369","","10.3390/molecules28176369","","","0.71073","MoKα","","0.0362","0.0323","","","0.0724","0.074","","","","","","1.053","","","","has coordinates","286236","2023-09-06","13:58:51",""
"1569820","11.8935","0.0003","13.8385","0.0004","17.6968","0.0005","90","","91.266","0.001","90","","2911.97","0.14","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H31 N3 Pt -","- C37 H31 N3 Pt -","- C148 H124 N12 Pt4 -","4","2","","Jing, Jing; Yu, Miao; Pan, Lei; Zhao, Yang; Xu, Guo; Zhang, Hua-Hong; Li, Chen; Zhang, Xiao-Peng","Synthesis and Biological Activities of Luminescent 5,6-Membered Bis(Metallacyclic) Platinum(II) Complexes","Molecules","2023","28","17","6369","","10.3390/molecules28176369","","","0.71073","MoKα","","0.0414","0.0346","","","0.0932","0.097","","","","","","1.045","","","","has coordinates","286237","2023-09-06","13:59:25",""
"1569821","10.619","0.0002","6.0324","0.0001","23.9571","0.0006","90","","95.244","0.002","90","","1528.22","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F2 I N O2 S -","- C15 H11 F2 I N O2 S -","- C60 H44 F8 I4 N4 O8 S4 -","4","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","x-ray","0.71073","MoKα","","0.0222","0.0202","","","0.045","0.0458","","","","","","1.059","","","","has coordinates","286238","2023-09-06","14:00:09",""
"1569822","16.9967","0.0002","8.9025","0.0001","22.2511","0.0003","90","","95.965","0.001","90","","3348.65","0.07","99.99","0.1","99.99","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 Cl F2 I N2 O3 S -","- C13 H13 Cl F2 I N2 O3 S -","- C104 H104 Cl8 F16 I8 N16 O24 S8 -","8","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","x-ray","0.71073","MoKα","","0.0186","0.0177","","","0.0436","0.0439","","","","","","1.069","","","","has coordinates","286239","2023-09-06","14:00:44",""
"1569823","13.1627","0.0002","8.95812","0.00018","14.5445","0.0003","90","","105.584","0.002","90","","1651.94","0.06","100","0.11","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Br Cl F2 N2 O3 S -","- C13 H13 Br Cl F2 N2 O3 S -","- C52 H52 Br4 Cl4 F8 N8 O12 S4 -","4","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","","0.71073","MoKα","","0.0363","0.034","","","0.0711","0.0721","","","","","","1.171","","","","has coordinates,has disorder","286240","2023-09-06","14:01:09",""
"1569824","8.9617","0.0001","5.8243","0.0001","32.1685","0.0005","90","","90","","90","","1679.06","0.04","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C13 H9 F4 I2 N O2 S -","- C13 H9 F4 I2 N O2 S -","- C52 H36 F16 I8 N4 O8 S4 -","4","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","","1.54184","CuKα","","0.0335","0.0328","","","0.0871","0.0876","","","","","","1.085","","","","has coordinates","286241","2023-09-06","14:01:35",""
"1569825","11.4061","0.0003","5.7465","0.0001","18.4124","0.0004","90","","90.479","0.002","90","","1206.8","0.05","100.01","0.1","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 F2 I N O2 S -","- C10 H9 F2 I N O2 S -","- C40 H36 F8 I4 N4 O8 S4 -","4","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","","1.54184","CuKα","","0.0292","0.0271","","","0.0735","0.0749","","","","","","1.076","","","","has coordinates","286242","2023-09-06","14:01:55",""
"1569826","13.1495","0.0001","8.9685","0.0001","14.6148","0.0001","90","","102.842","0.001","90","","1680.43","0.03","100","0.1","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl F2 I N2 O3 S -","- C13 H13 Cl F2 I N2 O3 S -","- C52 H52 Cl4 F8 I4 N8 O12 S4 -","4","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","","1.54184","CuKα","","0.0384","0.038","","","0.0988","0.0992","","","","","","0.997","","","","has coordinates,has disorder","286243","2023-09-06","14:02:26",""
"1569827","5.6059","0.0002","16.1462","0.0004","18.2847","0.0004","90","","93.083","0.002","90","","1652.63","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 F4 I2 N O2 S -","- C13 H9 F4 I2 N O2 S -","- C52 H36 F16 I8 N4 O8 S4 -","4","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","x-ray","0.71073","MoKα","","0.0273","0.0225","","","0.0524","0.0545","","","","","","1.036","","","","has coordinates","286244","2023-09-06","14:02:50",""
"1570272","7.1985","0.0006","12.3419","0.0009","11.5711","0.0009","90","","103.281","0.003","90","","1000.52","0.14","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H12 Cl3 N8 O4 Ru -","- C12 H12 Cl3 N8 O4 Ru -","- C24 H24 Cl6 N16 O8 Ru2 -","2","0.5","","Orts-Arroyo, Marta; Monfort, Joel; Moliner, Nicolás; Martínez-Lillo, José","Enantiomeric Complexes Based on Ruthenium(III) and 2,2'-Biimidazole: X-ray Structure and Magnetic Properties.","Molecules (Basel, Switzerland)","2023","28","20","7213","","10.3390/molecules28207213","","","0.71073","MoKα","","0.0516","0.0448","","","0.0859","0.0899","","","","","","1.126","","","","has coordinates","287455","2023-11-07","02:57:42",""
"1570273","13.4566","0.0006","11.3171","0.0004","13.7498","0.0006","90","","115.555","0.001","90","","1889.1","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl6 N16 O4 Ru2 -","- C24 H24 Cl6 N16 O4 Ru2 -","- C48 H48 Cl12 N32 O8 Ru4 -","2","1","","Orts-Arroyo, Marta; Monfort, Joel; Moliner, Nicolás; Martínez-Lillo, José","Enantiomeric Complexes Based on Ruthenium(III) and 2,2'-Biimidazole: X-ray Structure and Magnetic Properties.","Molecules (Basel, Switzerland)","2023","28","20","7213","","10.3390/molecules28207213","","","0.71073","MoKα","","0.042","0.0413","","","0.1269","0.1281","","","","","","1.06","","","","has coordinates","287457","2023-11-07","02:58:50",""
"1570274","19.775","0.005","17.494","0.004","14.574","0.004","90","","129.016","0.008","90","","3917.3","1.8","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Cl2 Mn N6 O -","- C19 H18 Cl2 Mn N6 O -","- C152 H144 Cl16 Mn8 N48 O8 -","8","1","","Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E.","Synthesis and Characterization of Bipyridyl-(Imidazole)<sub>n</sub> Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation.","Molecules (Basel, Switzerland)","2023","28","20","7221","","10.3390/molecules28207221","","","1.54178","CuKα","","0.0458","0.0374","","","0.0886","0.0934","","","","","","1.038","","","","has coordinates","287458","2023-11-07","02:59:20",""
"1570275","15.1833","0.0006","13.4972","0.0004","24.4882","0.0009","90","","90","","90","","5018.4","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H18 F6 Mn N6 O7 S2 -","- C21 H18 F6 Mn N6 O7 S2 -","- C168 H144 F48 Mn8 N48 O56 S16 -","8","1","","Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E.","Synthesis and Characterization of Bipyridyl-(Imidazole)<sub>n</sub> Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation.","Molecules (Basel, Switzerland)","2023","28","20","7221","","10.3390/molecules28207221","","","1.54178","CuKα","","0.1078","0.0816","","","0.1761","0.1905","","","","","","1.177","","","","has coordinates","287459","2023-11-07","02:59:47",""
"1570276","8.0555","0.0002","10.3178","0.0002","29.9387","0.0006","90","","93.604","0.001","90","","2483.44","0.09","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F6 Mn N5 O7 S2 -","- C19 H15 F6 Mn N5 O7 S2 -","- C76 H60 F24 Mn4 N20 O28 S8 -","4","1","","Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E.","Synthesis and Characterization of Bipyridyl-(Imidazole)<sub>n</sub> Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation.","Molecules (Basel, Switzerland)","2023","28","20","7221","","10.3390/molecules28207221","","","1.54178","CuKα","","0.069","0.052","","","0.0992","0.1068","","","","","","1.093","","","","has coordinates,has disorder","287460","2023-11-07","03:00:17",""
"1570277","11.82","0.001","12.7584","0.0011","13.3067","0.0013","109.691","0.006","107.464","0.005","99.058","0.005","1726","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C51 H50 Cl6 Mn3 N15 O31 -","- C51 H50 Cl6 Mn3 N15 O31 -","- C51 H50 Cl6 Mn3 N15 O31 -","1","1","","Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E.","Synthesis and Characterization of Bipyridyl-(Imidazole)<sub>n</sub> Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation.","Molecules (Basel, Switzerland)","2023","28","20","7221","","10.3390/molecules28207221","","","1.54178","CuKα","","0.0826","0.0693","","","0.1653","0.1757","","","","","","1.034","","","","has coordinates","287461","2023-11-07","03:00:48",""
"1570278","7.761","0.0002","7.761","0.0002","56.211","0.0018","90","","90","","120","","2932.16","0.14","293","2","293","2","","","","","","","","3","P 31 2 1","P 31 2""","152","Nandrolone_propionate","19_nortestosterone_17β-propionate_hemihydrate","","- C42 H62 O6.5 -","- C42 H62 O6.5 -","- C126 H186 O19.5 -","3","0.5","","Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta","Crystal Structure and Intermolecular Energy for Some Nandrolone Esters.","Molecules (Basel, Switzerland)","2023","28","20","7179","","10.3390/molecules28207179","","","1.54184","CuKα","","0.0827","0.068","","","0.2032","0.221","","","","","","1.045","","","","has coordinates","287462","2023-11-07","03:01:25",""
"1570279","9.9889","0.0006","8.2547","0.0005","32.9847","0.0014","90","","94.761","0.005","90","","2710.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Nandrolone_undecanoate","19_nortestosterone_17β_undecanoate","","- C29 H46 O3 -","- C29 H46 O3 -","- C116 H184 O12 -","4","2","","Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta","Crystal Structure and Intermolecular Energy for Some Nandrolone Esters.","Molecules (Basel, Switzerland)","2023","28","20","7179","","10.3390/molecules28207179","","x-ray","0.71073","MoKα","","0.2801","0.0865","","","0.1462","0.2189","","","","","","0.978","","","","has coordinates","287463","2023-11-07","03:02:16",""
"1570280","7.6432","0.0001","15.3112","0.0004","19.78","0.0004","90","","90","","90","","2314.79","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nandrolone_cypionate","19_nortestosterone_17β_cyclopentanepropionate","","- C26 H38 O3 -","- C26 H38 O3 -","- C104 H152 O12 -","4","1","","Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta","Crystal Structure and Intermolecular Energy for Some Nandrolone Esters.","Molecules (Basel, Switzerland)","2023","28","20","7179","","10.3390/molecules28207179","","x-ray","1.54184","CuKα","","0.071","0.0652","","","0.1986","0.2089","","","","","","1.061","","","","has coordinates","287464","2023-11-07","03:02:45",""
"1570281","8.0959","0.0001","8.0959","0.0001","71.2184","0.0014","90","","90","","90","","4667.91","0.12","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","Nandrolone_phenylpropionate","19_Nortestosterone_17β_phenylpropionate","","- C27 H34 O3 -","- C27 H34 O3 -","- C216 H272 O24 -","8","1","","Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta","Crystal Structure and Intermolecular Energy for Some Nandrolone Esters.","Molecules (Basel, Switzerland)","2023","28","20","7179","","10.3390/molecules28207179","","x-ray","1.54184","CuKα","","0.1089","0.0694","","","0.2045","0.2338","","","","","","1.023","","","","has coordinates","287465","2023-11-07","03:03:19",""
"1570525","3.9773","0.0003","28.477","0.002","9.5781","0.0009","90","","91.242","0.001","90","","1084.58","0.15","193","2","193.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cl N2 O2 Se -","- C8 H11 Cl N2 O2 Se -","- C32 H44 Cl4 N8 O8 Se4 -","4","1","","Boeré, René T","Hydrogen Bonds Stabilize Chloroselenite Anions: Crystal Structure of a New Salt and Donor-Acceptor Bonding to SeO<sub>2</sub>.","Molecules (Basel, Switzerland)","2023","28","22","7489","","10.3390/molecules28227489","","","0.71073","MoKα","","0.0393","0.0339","","","0.0805","0.0827","","","","","","1.1032","","","","has coordinates,has disorder","288112","2023-12-07","02:58:25",""
"1570717","36.7954","0.0007","6.4842","0.00012","19.5726","0.0004","90","","102.487","0.0008","90","","4559.34","0.15","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 N O2 P -","- C30 H22 N O2 P -","- C240 H176 N8 O16 P8 -","8","1","","Truong, Minh Anh; Morishita, Suzuho; Noguchi, Keiichi; Nakano, Koji","The Synthesis and Properties of Ladder-Type π-Conjugated Compounds with Pyrrole and Phosphole Rings","Molecules","2023","29","1","38","","10.3390/molecules29010038","","","1.54187","CuKα","","0.057","0.0502","","","0.1424","0.1482","","","","","","1.073","","","","has coordinates","288928","2024-01-07","02:51:27",""
"1570718","9.0262","0.0002","10.954","0.0002","20.2813","0.0004","90","","100.093","0.001","90","","1974.24","0.07","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N O P -","- C26 H18 N O P -","- C104 H72 N4 O4 P4 -","4","1","","Truong, Minh Anh; Morishita, Suzuho; Noguchi, Keiichi; Nakano, Koji","The Synthesis and Properties of Ladder-Type π-Conjugated Compounds with Pyrrole and Phosphole Rings","Molecules","2023","29","1","38","","10.3390/molecules29010038","","","1.54187","CuKα","","0.0455","0.0412","","","0.116","0.1191","","","","","","1.101","","","","has coordinates","288929","2024-01-07","02:52:22",""
"1570719","11.273","0.005","13.638","0.008","22.354","0.014","73.72","0.02","87.76","0.02","88.16","0.02","3296","3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 B10 N7 O2 Pb -","- C28 H33 B10 N7 O2 Pb -","- C112 H132 B40 N28 O8 Pb4 -","4","2","","Matveev, Evgenii Yu; Dontsova, Olga S.; Avdeeva, Varvara V.; Kubasov, Alexey S.; Zhdanov, Andrey P.; Nikiforova, Svetlana E.; Goeva, Lyudmila V.; Zhizhin, Konstantin Yu; Malinina, Elena A.; Kuznetsov, Nikolay T.","Synthesis and Structures of Lead(II) Complexes with Substituted Derivatives of the <i>Closo</i>-Decaborate Anion with a Pendant N<sub>3</sub> Group.","Molecules (Basel, Switzerland)","2023","28","24","8073","","10.3390/molecules28248073","","","0.71073","MoKα","","0.135","0.0797","","","0.1833","0.2117","","","","","","1.025","","","","has coordinates,has disorder","288930","2024-01-07","02:53:19",""
"1570720","9.377","0.003","17.981","0.006","19.298","0.01","99.786","0.019","95.463","0.018","97.987","0.009","3152","2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 B10 N16 O7 Pb2 -","- C59 H60 B10 N16 O7 Pb2 -","- C118 H120 B20 N32 O14 Pb4 -","2","1","","Matveev, Evgenii Yu; Dontsova, Olga S.; Avdeeva, Varvara V.; Kubasov, Alexey S.; Zhdanov, Andrey P.; Nikiforova, Svetlana E.; Goeva, Lyudmila V.; Zhizhin, Konstantin Yu; Malinina, Elena A.; Kuznetsov, Nikolay T.","Synthesis and Structures of Lead(II) Complexes with Substituted Derivatives of the <i>Closo</i>-Decaborate Anion with a Pendant N<sub>3</sub> Group.","Molecules (Basel, Switzerland)","2023","28","24","8073","","10.3390/molecules28248073","","","0.71073","MoKα","","0.0687","0.0517","","","0.1057","0.1127","","","","","","1.074","","","","has coordinates","288931","2024-01-07","02:54:12",""
"1570721","16.8622","0.0008","17.0582","0.0008","18.224","0.0009","90","","109.153","0.002","90","","4951.8","0.4","150","","150","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C35 H38.5 B10 N11.5 O8.12 Pb2 -","- C35 H38.5 B10 N11.5 O8.125 Pb2 -","- C140 H154 B40 N46 O32.5 Pb8 -","4","1","","Matveev, Evgenii Yu; Dontsova, Olga S.; Avdeeva, Varvara V.; Kubasov, Alexey S.; Zhdanov, Andrey P.; Nikiforova, Svetlana E.; Goeva, Lyudmila V.; Zhizhin, Konstantin Yu; Malinina, Elena A.; Kuznetsov, Nikolay T.","Synthesis and Structures of Lead(II) Complexes with Substituted Derivatives of the <i>Closo</i>-Decaborate Anion with a Pendant N<sub>3</sub> Group.","Molecules (Basel, Switzerland)","2023","28","24","8073","","10.3390/molecules28248073","","","0.71073","MoKα","","0.1173","0.0706","","","0.1628","0.1868","","","","","","1.014","","","","has coordinates,has disorder","288932","2024-01-07","02:55:06",""
"1570722","19.758","0.006","13.276","0.002","19.385","0.007","90","","96.157","0.014","90","","5055","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H59 B10 N3 O P2 -","- C53 H59 B10 N3 O P2 -","- C212 H236 B40 N12 O4 P8 -","4","1","","Matveev, Evgenii Yu; Dontsova, Olga S.; Avdeeva, Varvara V.; Kubasov, Alexey S.; Zhdanov, Andrey P.; Nikiforova, Svetlana E.; Goeva, Lyudmila V.; Zhizhin, Konstantin Yu; Malinina, Elena A.; Kuznetsov, Nikolay T.","Synthesis and Structures of Lead(II) Complexes with Substituted Derivatives of the <i>Closo</i>-Decaborate Anion with a Pendant N<sub>3</sub> Group.","Molecules (Basel, Switzerland)","2023","28","24","8073","","10.3390/molecules28248073","","","0.71073","MoKα","","0.1589","0.0789","","","0.1733","0.2253","","","","","","1.036","","","","has coordinates","288933","2024-01-07","02:55:58",""
"1570899","10.1725","0.0003","10.5825","0.0003","18.4246","0.0005","90","","90","","90","","1983.42","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 O3 P -","- C26 H17 O3 P -","- C104 H68 O12 P4 -","4","1","","Ferraro, Valentina; Castro, Jesús; Bortoluzzi, Marco","Luminescent Behavior of Zn(II) and Mn(II) Halide Derivatives of 4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-Oxide and Single-Crystal X-ray Structure Determination of the Ligand.","Molecules (Basel, Switzerland)","2024","29","1","239","","10.3390/molecules29010239","","","0.71073","MoKα","","0.0277","0.0273","","","0.0731","0.0734","","","","","","1.091","","","","has coordinates","289657","2024-02-05","05:05:52",""
"1570900","12.091","0.002","12.295","0.002","12.729","0.003","82.9","0.03","82.85","0.03","89.24","0.03","1863.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H43 Cl N O7 P Pd -","- C41 H43 Cl N O7 P Pd -","- C82 H86 Cl2 N2 O14 P2 Pd2 -","2","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0506","0.0431","","","0.1143","0.1214","","","","","","1.085","","","","has coordinates,has disorder","289659","2024-02-05","05:06:11",""
"1570901","14.982","0.003","13.237","0.003","16.829","0.003","90","","112.78","0.03","90","","3077.1","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl N O4 P Pd -","- C34 H33 Cl N O4 P Pd -","- C136 H132 Cl4 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0823","0.0746","","","0.2366","0.2458","","","","","","1.138","","","","has coordinates,has disorder","289660","2024-02-05","05:06:26",""
"1570902","15.295","0.003","10.691","0.002","19.12","0.004","90","","99.74","0.03","90","","3081.4","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl F3 N O4 P Pd -","- C34 H30 Cl F3 N O4 P Pd -","- C136 H120 Cl4 F12 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0273","0.026","","","0.0732","0.0741","","","","","","1.051","","","","has coordinates","289661","2024-02-05","05:06:41",""
"1570903","19.569","0.004","9.821","0.002","17.575","0.004","90","","90","","90","","3377.7","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H37 Cl N O7 P Pd -","- C35 H37 Cl N O7 P Pd -","- C140 H148 Cl4 N4 O28 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0278","0.0252","","","0.0647","0.066","","","","","","1.062","","","","has coordinates,has disorder","289662","2024-02-05","05:06:56",""
"1570904","9.905","0.002","34.151","0.007","9.978","0.002","90","","90.58","0.03","90","","3375","1.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H32 Cl4 N O4 P Pd -","- C33 H32 Cl4 N O4 P Pd -","- C132 H128 Cl16 N4 O16 P4 Pd4 -","4","2","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0357","0.0343","","","0.0854","0.0866","","","","","","1.008","","","","has coordinates","289663","2024-02-05","05:07:12",""
"1570905","15.006","0.003","10.701","0.002","18.944","0.004","90","","95.65","0.03","90","","3027.2","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Cl F3 N O4 P Pd -","- C32 H28 Cl F3 N O4 P Pd -","- C128 H112 Cl4 F12 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0267","0.0262","","","0.0685","0.069","","","","","","1.076","","","","has coordinates","289664","2024-02-05","05:07:26",""
"1570906","10.17","0.002","18.904","0.004","17.274","0.003","90","","90.09","0.03","90","","3321","1.1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl4 N O4 P Pd -","- C32 H28 Cl4 N O4 P Pd -","- C128 H112 Cl16 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0901","0.0591","","","0.1746","0.2077","","","","","","1.031","","","","has coordinates,has disorder","289665","2024-02-05","05:07:42",""
"1570907","12.186","0.002","12.335","0.002","13.003","0.003","83.54","0.03","81.05","0.03","88.43","0.03","1918.4","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H43 Cl N O7 P Pd -","- C41 H43 Cl N O7 P Pd -","- C82 H86 Cl2 N2 O14 P2 Pd2 -","2","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0443","0.0405","","","0.1207","0.1263","","","","","","1.042","","","","has coordinates,has disorder","289666","2024-02-05","05:07:57",""
"1570908","19.544","0.004","9.842","0.002","17.561","0.004","90","","90","","90","","3377.9","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H37 Cl N O7 P Pd -","- C35 H37 Cl N O7 P Pd -","- C140 H148 Cl4 N4 O28 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0422","0.0332","","","0.0822","0.0861","","","","","","1.083","","","","has coordinates,has disorder","289667","2024-02-05","05:08:14",""
"1570909","15.157","0.003","13.336","0.003","17.127","0.003","90","","112.74","0.03","90","","3192.8","1.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl N O4 P Pd -","- C34 H33 Cl N O4 P Pd -","- C136 H132 Cl4 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.041","0.0351","","","0.1082","0.115","","","","","","1.041","","","","has coordinates","289668","2024-02-05","05:08:33",""
"1570910","10.1482","0.0009","11.1855","0.001","11.7055","0.0011","111.285","0.003","97.429","0.003","108.425","0.003","1128.98","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Cu N4 O9 -","- C23 H20 Cu N4 O9 -","- C46 H40 Cu2 N8 O18 -","2","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.0755","0.0555","","","0.1419","0.1668","","","","","","1.054","","","","has coordinates","289669","2024-02-05","05:09:38",""
"1570911","8.9062","0.0002","11.2565","0.0003","22.7418","0.0005","99.7718","0.0014","94.3827","0.0015","105.873","0.0014","2142.95","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H53 Cu1.5 N6 O17.5 -","- C36 H53 Cu1.5 N6 O17.5 -","- C72 H106 Cu3 N12 O35 -","2","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.1158","0.055","","","0.1228","0.1452","","","","","","1.015","","","","has coordinates","289669","2024-02-05","05:09:39",""
"1570912","18.8531","0.0006","25.8032","0.0008","17.4503","0.0006","90","","99.4362","0.0019","90","","8374.2","0.5","191","2","191","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Cu N2 O7 -","- C36 H27 Cu N2 O7 -","- C288 H216 Cu8 N16 O56 -","8","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.1022","0.0536","","","0.1164","0.1345","","","","","","0.99","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570913","16.5969","0.0004","13.9067","0.0004","17.611","0.0005","90","","90.2248","0.0009","90","","4064.73","0.19","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 Cu4 N4 O16 -","- C40 H38 Cu4 N4 O16 -","- C160 H152 Cu16 N16 O64 -","4","0.5","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.0323","0.0265","","","0.069","0.0747","","","","","","1.085","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570914","20.9682","0.001","25.3489","0.0011","18.1699","0.0008","90","","90","","90","","9657.7","0.8","165","2","165","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C100.5 H104 Cu3 N8 O20.5 -","- C100.5 H98 Cu3 N8 O20.5 -","- C402 H392 Cu12 N32 O82 -","4","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.0664","0.0526","","","0.1408","0.1503","","","","","","1.026","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570915","22.0739","0.0018","24.3392","0.0018","17.9481","0.0015","90","","90","","90","","9642.8","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C101 H101 Cu3 N9 O19 -","- C101 H99 Cu3 N9 O19 -","- C404 H396 Cu12 N36 O76 -","4","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.1364","0.0571","","","0.1019","0.1244","","","","","","1.002","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570916","13.644","0.012","25.64","0.02","29.54","0.03","90","","90","","90","","10334","16","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H51 Cl2 N8 O4.5 -","- C56 H51 Cl2 N8 O4.5 -","- C448 H408 Cl16 N64 O36 -","8","1","","Li, Yong; He, Liujun; Qin, Hongxia; Liu, Yao; Yang, Binxin; Xu, Zhigang; Yang, Donglin","A Facile Ugi/Ullmann Cascade Reaction to Access Fused Indazolo-Quinoxaline Derivatives with Potent Anticancer Activity.","Molecules (Basel, Switzerland)","2024","29","2","464","","10.3390/molecules29020464","","","0.71073","MoKα","","0.1786","0.0572","","","0.1171","0.1455","","","","","","0.85","","","","has coordinates","289670","2024-02-05","05:10:10",""
"1570917","20.3737","0.0006","12.9319","0.0003","20.6857","0.0006","90","","106.129","0.001","90","","5235.6","0.2","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C45.5 H25 Al Eu F18 N3 O12 -","- C46.5 H25 Al Eu F18 N3 O12 -","- C186 H100 Al4 Eu4 F72 N12 O48 -","4","1","","Gallo, Elisa; Bellucci, Luca; Carlotto, Silvia; Bottaro, Gregorio; Babetto, Luca; Giordano, Luca; Marchetti, Fabio; Samaritani, Simona; Armelao, Lidia; Labella, Luca","Aluminium 8-Hydroxyquinolinate <i>N</i>-Oxide as a Precursor to Heterometallic Aluminium-Lanthanide Complexes.","Molecules (Basel, Switzerland)","2024","29","2","451","","10.3390/molecules29020451","","","0.71073","MoKα","","0.0791","0.0512","","","0.129","0.145","","","","","","1.054","","","","has coordinates,has disorder","289671","2024-02-05","05:10:30",""
"1570918","8.2312","0.0019","16.306","0.003","12.099","0.003","90","","90","","90","","1623.9","0.6","100","1","100","1","","","","","","","","3","P n a 21","P 2c -2n","33","Bat-intermediate-down","","","- C19 H18 O8 -","- C19 H18 O8 -","- C76 H72 O32 -","4","1","","Kamma, Koteswara Rao; Cho, Joungmo; Won, Hyo Jun; Nam, So-Yeon; Le, Ngan Hong; Jung, Je Hyeong; Lee, Kee-In","Synthetic Studies toward 5,6,7,3',4'-Monomethoxytetrahydroxyflavones: Synthesis of Pedalitin.","Molecules (Basel, Switzerland)","2024","29","2","513","","10.3390/molecules29020513","","","0.71073","MoKa","","0.0552","0.0492","","","0.1038","0.1065","","","","","","1.087","","","","has coordinates","289672","2024-02-05","05:10:49",""
"1570919","8.9444","0.0001","10.971","0.0002","13.8699","0.0002","108.253","0.002","93.627","0.001","112.862","0.002","1164.11","0.04","298","","298","","","","","","","","","3","P -1","-P 1","2","","Ac-B","","- C24 H20 O11 -","- C24 H20 O11 -","- C48 H40 O22 -","2","1","","Kamma, Koteswara Rao; Cho, Joungmo; Won, Hyo Jun; Nam, So-Yeon; Le, Ngan Hong; Jung, Je Hyeong; Lee, Kee-In","Synthetic Studies toward 5,6,7,3',4'-Monomethoxytetrahydroxyflavones: Synthesis of Pedalitin.","Molecules (Basel, Switzerland)","2024","29","2","513","","10.3390/molecules29020513","","x-ray","1.54184","CuKα","","0.063","0.0543","","","0.1661","0.1754","","","","","","1.076","","","","has coordinates,has disorder","289673","2024-02-05","05:11:07",""
"1571121","10.4364","0.0003","13.7629","0.0004","21.5413","0.0005","90","","98.343","0.003","90","","3061.34","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Cu F6 N9 P3 -","- C27 H35 Cu F6 N9 P3 -","- C108 H140 Cu4 F24 N36 P12 -","4","1","","Smoleński, Piotr; Śliwińska-Hill, Urszula; Kwiecień, Anna; Wolińska, Joanna; Poradowski, Dominik","Design, Synthesis, and Anti-Cancer Evaluation of Novel Water-Soluble Copper(I) Complexes Bearing Terpyridine and PTA Ligands","Molecules","2024","29","5","945","","10.3390/molecules29050945","","x-ray","1.54184","CuKα","","0.0359","0.0331","","","0.0861","0.0878","","","","","","1.058","","","","has coordinates","290303","2024-03-05","13:41:32",""
"1571122","12.249","0.0004","7.5386","0.0003","12.9332","0.0005","90","","102.563","0.001","90","","1165.66","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMI-57","","","- C14 H10 O2 Se -","- C14 H10 O2 Se -","- C56 H40 O8 Se4 -","4","1","","Dumitraș, Darius; Gal, Emese; Silvestru, Cristian; Pop, Alexandra","Metal Complexes Containing Homoleptic Diorganoselenium(II) Ligands: Synthesis, Characterization and Investigation of Optical Properties.","Molecules (Basel, Switzerland)","2024","29","4","792","","10.3390/molecules29040792","","","0.71073","MoKα","","0.0379","0.0286","","","0.0663","0.0709","","","","","","1.044","","","","has coordinates","290304","2024-03-05","13:41:54",""
"1571123","13.7518","0.0006","19.5095","0.001","4.7253","0.0003","90","","90","","90","","1267.75","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H20 N2 O4 Se -","- C32 H20 N2 O4 Se -","- C64 H40 N4 O8 Se2 -","2","0.5","","Dumitraș, Darius; Gal, Emese; Silvestru, Cristian; Pop, Alexandra","Metal Complexes Containing Homoleptic Diorganoselenium(II) Ligands: Synthesis, Characterization and Investigation of Optical Properties.","Molecules (Basel, Switzerland)","2024","29","4","792","","10.3390/molecules29040792","","","0.71073","MoKα","","0.0451","0.0325","","","0.0558","0.0598","","","","","","1.043","","","","has coordinates","290305","2024-03-05","13:42:08",""
"1571124","14.54","0.05","15.25","0.05","15.42","0.05","114.04","0.04","99.38","0.04","112.59","0.04","2668","15","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H64 Cl4 O10 -","- C56 H64 Cl4 O10 -","- C112 H128 Cl8 O20 -","2","1","","Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei","Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran.","Molecules (Basel, Switzerland)","2024","29","3","719","","10.3390/molecules29030719","","","0.71073","MoKα","","0.2078","0.0908","","","0.24","0.3195","","","","","","0.951","","","","has coordinates","290306","2024-03-05","13:42:27",""
"1571125","18.227","0.005","18.218","0.005","19.01","0.005","90","","111.022","0.004","90","","5892","3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C126 H124 Cl8 N4 O24 -","- C126 H124 Cl8 N4 O24 -","- C252 H248 Cl16 N8 O48 -","2","0.25","","Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei","Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran.","Molecules (Basel, Switzerland)","2024","29","3","719","","10.3390/molecules29030719","","","0.71073","MoKα","","0.1149","0.0801","","","0.2302","0.2671","","","","","","1.041","","","","has coordinates,has disorder","290307","2024-03-05","13:42:52",""
"1571126","21.174","0.003","21.174","0.003","13.5099","0.0019","90","","90","","120","","5245.5","1.3","296.15","","296.15","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Mac","","- C54 H64 O8 -","- C54 H64 O8 -","- C162 H192 O24 -","3","0.5","","Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei","Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran.","Molecules (Basel, Switzerland)","2024","29","3","719","","10.3390/molecules29030719","","","0.71073","MoKα","","0.1165","0.059","","","0.1418","0.167","","","","","","0.974","","","","has coordinates","290308","2024-03-05","13:43:07",""
"1571555","14.8687","0.0006","7.2434","0.0002","12.5592","0.0004","90","","107.559","0.0008","90","","1289.6","0.08","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C52 H56 Cl4 N12 O8 -","4","1","","Bruni, Giovanna; Capsoni, Doretta; Pellegrini, Anna; Altomare, Angela; Coduri, Mauro; Ferrara, Chiara; Galinetto, Pietro; Molteni, Renato","New Findings on the Crystal Polymorphism of Imepitoin.","Molecules (Basel, Switzerland)","2024","29","8","1724","","10.3390/molecules29081724","powder diffraction","","0.354176","","","","","","","","","","0.06576","1.29822","","","","","","","has coordinates","291706","2024-05-05","20:41:03",""
"1571556","12.0281","0.0008","12.3628","0.0009","12.5821","0.0009","110.49","0.003","99.692","0.003","108.754","0.003","1574.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Co N4 O12 S -","- C29 H32 Co N4 O12 S -","- C58 H64 Co2 N8 O24 S2 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.044","0.0413","","","0.107","0.1089","","","","","","1.048","","","","has coordinates,has disorder","291707","2024-05-05","20:41:47",""
"1571557","10.537","0.003","12.378","0.002","12.849","0.002","61.476","0.008","72.697","0.01","85.374","0.014","1402","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Co N4 O10 S -","- C28 H26 Co N4 O10 S -","- C56 H52 Co2 N8 O20 S2 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.0323","0.0296","","","0.0825","0.0841","","","","","","1.063","","","","has coordinates","291707","2024-05-05","20:41:49",""
"1571558","11.6913","0.0008","12.5564","0.0008","13.2862","0.0008","105.716","0.0018","105.604","0.0018","91.3885","0.0019","1798.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H33 Co N6 O11 S -","- C35 H31 Co N6 O11 S -","- C70 H62 Co2 N12 O22 S2 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.1193","0.0535","","","0.0871","0.1061","","","","","","1.004","","","","has coordinates,has disorder","291707","2024-05-05","20:41:50",""
"1571559","13.9967","0.0009","14.4949","0.0008","14.9094","0.0008","104.089","0.0014","93.162","0.0015","114.136","0.0014","2636.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 Co2 N6 O21 S2 -","- C49 H46 Co2 N6 O21 S2 -","- C98 H92 Co4 N12 O42 S4 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.0811","0.0495","","","0.1133","0.1364","","","","","","1.019","","","","has coordinates,has disorder","291707","2024-05-05","20:41:50",""
"1571560","11.978","0.003","7.588","0.0014","28.042","0.005","90","","101.705","0.018","90","","2495.7","0.9","301","","301","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N3 O6 V -","- C26 H28 N3 O6 V -","- C104 H112 N12 O24 V4 -","4","1","","Hasegawa, Kyoko; Muto, Masahiro; Hamada, Masanobu; Yamada, Yasunori; Tokii, Tadashi; Koikawa, Masayuki","Syntheses, Structures, and Electrochemical Properties of Metallacyclic Oxidovanadium(V) Complexes with Asymmetric Multidentate Linking Ligands.","Molecules (Basel, Switzerland)","2024","29","8","1700","","10.3390/molecules29081700","","","0.71069","MoKα","","0.2748","0.079","","","0.216","0.3181","","","","","","0.947","","","","has coordinates","291708","2024-05-05","20:42:12",""
"1571561","12.465","0.005","16.244","0.006","18.285","0.008","102.99","0.03","98.16","0.03","108.59","0.03","3327","3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H33 N6 O15 V3 -","- C60 H33 N6 O15 V3 -","- C120 H66 N12 O30 V6 -","2","1","","Hasegawa, Kyoko; Muto, Masahiro; Hamada, Masanobu; Yamada, Yasunori; Tokii, Tadashi; Koikawa, Masayuki","Syntheses, Structures, and Electrochemical Properties of Metallacyclic Oxidovanadium(V) Complexes with Asymmetric Multidentate Linking Ligands.","Molecules (Basel, Switzerland)","2024","29","8","1700","","10.3390/molecules29081700","","x-ray","0.71075","MoKα","","0.0852","0.0568","","","0.1509","0.1766","","","","","","0.949","","","","has coordinates","291709","2024-05-05","20:42:28",""
"1571562","15.307","0.005","15.582","0.005","18.458","0.005","87.11","0.02","69.06","0.02","79.74","0.03","4046","2","292","","292","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H48 N8 O19 V3 -","- C70 H51 N8 O17 V3 -","- C140 H102 N16 O34 V6 -","2","1","","Hasegawa, Kyoko; Muto, Masahiro; Hamada, Masanobu; Yamada, Yasunori; Tokii, Tadashi; Koikawa, Masayuki","Syntheses, Structures, and Electrochemical Properties of Metallacyclic Oxidovanadium(V) Complexes with Asymmetric Multidentate Linking Ligands.","Molecules (Basel, Switzerland)","2024","29","8","1700","","10.3390/molecules29081700","","","0.71069","MoKα","","0.2692","0.0858","","","0.2336","0.3156","","","","","","0.927","","","","has coordinates","291710","2024-05-05","20:42:45",""