# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T13:35:40+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Molecules (Basel, Switzerland)') AND volume = 28 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"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",""
"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",""